N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide

C11H19N3O3S2 — CID 119569037

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O3S2/c1-3-11(4-2,7-12)14-10(15)8-5-9(18-6-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyBPOMYWMKYAFPCM-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.64
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 119569037) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID119569037
Molecular FormulaC11H19N3O3S2
Molecular Weight305.42 g/mol
Exact Mass305.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O3S2/c1-3-11(4-2,7-12)14-10(15)8-5-9(18-6-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyBPOMYWMKYAFPCM-UHFFFAOYSA-N
XLogP0.64
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
N-[(2R)-2-(ethylamino)propyl]-5-sulfamoylthiophene-3-carboxamide;hydrochloride
CID 120651740
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 103742641
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119361365
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide (CID 119569037) is N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide is CCC(CC)(CN)NC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is BPOMYWMKYAFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-3-11(4-2,7-12)14-10(15)8-5-9(18-6-8)19(13,16)17/h5-6H,3-4,7,12H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 119569037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).