N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride

C11H21ClN2O2S2 — CID 119981104

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)s1.Cl
InChIInChI=1S/C11H20N2O2S2.ClH/c1-4-11(5-2,8-12)13-17(14,15)10-7-6-9(3)16-10;/h6-7,13H,4-5,8,12H2,1-3H3;1H
InChIKeyPZMUTCLZQNMWAM-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride (PubChem CID 119981104) has the molecular formula C11H21ClN2O2S2 and a molecular weight of 312.89 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride
PubChem CID119981104
Molecular FormulaC11H21ClN2O2S2
Molecular Weight312.89 g/mol
Exact Mass312.07
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)s1.Cl
InChIInChI=1S/C11H20N2O2S2.ClH/c1-4-11(5-2,8-12)13-17(14,15)10-7-6-9(3)16-10;/h6-7,13H,4-5,8,12H2,1-3H3;1H
InChIKeyPZMUTCLZQNMWAM-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119981138
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
5-methyl-N-(2-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 110870567
N-[3-(aminomethyl)pentan-3-yl]-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120710325
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride (CID 119981104) is N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1ccc(C)s1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is PZMUTCLZQNMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2.ClH/c1-4-11(5-2,8-12)13-17(14,15)10-7-6-9(3)16-10;/h6-7,13H,4-5,8,12H2,1-3H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119981104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).