4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride

C18H27ClN2O2S — CID 118432865

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1NCC1CC1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/c1-11-14(15-8-16(15)19-10-12-2-3-12)9-17(23-11)18(21)20-13-4-6-22-7-5-13;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H/t15-,16+;/m0./s1
InChIKeySYQVLMXZSXSOAU-IDVLALEDSA-N
MW370.95 g/mol
LogP3.24
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 118432865) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID118432865
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1NCC1CC1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/c1-11-14(15-8-16(15)19-10-12-2-3-12)9-17(23-11)18(21)20-13-4-6-22-7-5-13;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H/t15-,16+;/m0./s1
InChIKeySYQVLMXZSXSOAU-IDVLALEDSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118433180
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 118432877
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118433146
3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-4-methyl-N-(oxan-4-yl)benzamide;hydrochloride
CID 118304183
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 118432628
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118433325
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 70669437
N-cyclopentyl-5-[2-(cyclopropylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432933
N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432924
N-(3-aminocyclobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238929
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride (CID 118432865) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1NCC1CC1.Cl.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is SYQVLMXZSXSOAU-IDVLALEDSA-N. The full InChI is InChI=1S/C18H26N2O2S.ClH/c1-11-14(15-8-16(15)19-10-12-2-3-12)9-17(23-11)18(21)20-13-4-6-22-7-5-13;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H/t15-,16+;/m0./s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 370.95 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118432865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).