5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide

C12H19N3O3S2 — CID 125420015

IUPAC5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(C(=O)N2CCCC[C@@H]2CN)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-5-3-2-4-9(15)7-13/h6,9H,2-5,7,13H2,1H3,(H2,14,17,18)/t9-/m1/s1
InChIKeySTMTVXNEMRSPJW-SECBINFHSA-N
MW317.44 g/mol
LogP0.66
Rot. Bonds3

About 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide

5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide (PubChem CID 125420015) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
PubChem CID125420015
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(C(=O)N2CCCC[C@@H]2CN)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-5-3-2-4-9(15)7-13/h6,9H,2-5,7,13H2,1H3,(H2,14,17,18)/t9-/m1/s1
InChIKeySTMTVXNEMRSPJW-SECBINFHSA-N
XLogP0.66
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115888736
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115612442
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899329
2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide (CID 125420015) is 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide is Cc1sc(C(=O)N2CCCC[C@@H]2CN)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is STMTVXNEMRSPJW-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-5-3-2-4-9(15)7-13/h6,9H,2-5,7,13H2,1H3,(H2,14,17,18)/t9-/m1/s1.
What are the key properties of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide?
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 125420015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).