N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride

C14H20ClN3O2S3 — CID 119985707

IUPACN-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCCC3CN)s2)cs1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-9-16-12(8-20-9)13-5-6-14(21-13)22(18,19)17-11-4-2-3-10(11)7-15;/h5-6,8,10-11,17H,2-4,7,15H2,1H3;1H
InChIKeyQADYZRFUGHCRPI-UHFFFAOYSA-N
MW393.99 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 119985707) has the molecular formula C14H20ClN3O2S3 and a molecular weight of 393.99 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID119985707
Molecular FormulaC14H20ClN3O2S3
Molecular Weight393.99 g/mol
Exact Mass393.04
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCCC3CN)s2)cs1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-9-16-12(8-20-9)13-5-6-14(21-13)22(18,19)17-11-4-2-3-10(11)7-15;/h5-6,8,10-11,17H,2-4,7,15H2,1H3;1H
InChIKeyQADYZRFUGHCRPI-UHFFFAOYSA-N
XLogP3.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795582
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 119985846
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714634
N-[[1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990493
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
CID 119965838

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride (CID 119985707) is N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride is Cc1nc(-c2ccc(S(=O)(=O)NC3CCCC3CN)s2)cs1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is QADYZRFUGHCRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3.ClH/c1-9-16-12(8-20-9)13-5-6-14(21-13)22(18,19)17-11-4-2-3-10(11)7-15;/h5-6,8,10-11,17H,2-4,7,15H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 393.99 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119985707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).