5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride

C18H27ClN2O2S — CID 118433146

IUPAC5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
SMILESCc1sc(C2CC2NCC2CC2)cc1C(=O)NC1CCOCC1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/c1-11-14(18(21)20-13-4-6-22-7-5-13)9-17(23-11)15-8-16(15)19-10-12-2-3-12;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H
InChIKeyIRBWXYVLEJIMFI-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.24
Rot. Bonds6

About 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride

5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride (PubChem CID 118433146) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
PubChem CID118433146
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
SMILESCc1sc(C2CC2NCC2CC2)cc1C(=O)NC1CCOCC1.Cl
InChIInChI=1S/C18H26N2O2S.ClH/c1-11-14(18(21)20-13-4-6-22-7-5-13)9-17(23-11)15-8-16(15)19-10-12-2-3-12;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H
InChIKeyIRBWXYVLEJIMFI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride (CID 118433146) is 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride is Cc1sc(C2CC2NCC2CC2)cc1C(=O)NC1CCOCC1.Cl.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is IRBWXYVLEJIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S.ClH/c1-11-14(18(21)20-13-4-6-22-7-5-13)9-17(23-11)15-8-16(15)19-10-12-2-3-12;/h9,12-13,15-16,19H,2-8,10H2,1H3,(H,20,21);1H.
What are the key properties of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-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 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 118433146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).