N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

C14H24ClN3O3S2 — CID 120506434

IUPACN-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CN)s2)CC1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-10-5-7-17(8-6-10)22(19,20)13-4-3-12(21-13)14(18)16-11(2)9-15;/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18);1H/t11-;/m0./s1
InChIKeyVGJKYSNVWCQFAO-MERQFXBCSA-N
MW381.95 g/mol
LogP1.67
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 120506434) has the molecular formula C14H24ClN3O3S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID120506434
Molecular FormulaC14H24ClN3O3S2
Molecular Weight381.95 g/mol
Exact Mass381.09
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CN)s2)CC1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-10-5-7-17(8-6-10)22(19,20)13-4-3-12(21-13)14(18)16-11(2)9-15;/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18);1H/t11-;/m0./s1
InChIKeyVGJKYSNVWCQFAO-MERQFXBCSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 120506435
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 119581611
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119631204
5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449859
N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120568556
N-[(2-chlorophenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 53066269
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 119652797
5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119533771
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone;hydrochloride
CID 119409563
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119409564
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 120656340
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (CID 120506434) is N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CN)s2)CC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is VGJKYSNVWCQFAO-MERQFXBCSA-N. The full InChI is InChI=1S/C14H23N3O3S2.ClH/c1-10-5-7-17(8-6-10)22(19,20)13-4-3-12(21-13)14(18)16-11(2)9-15;/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,18);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120506434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).