N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride

C14H28ClN5O3S — CID 119571128

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1.Cl
InChIInChI=1S/C14H27N5O3S.ClH/c1-5-14(6-2,10-15)18-12(20)7-8-16-23(21,22)13-9-19(4)11(3)17-13;/h9,16H,5-8,10,15H2,1-4H3,(H,18,20);1H
InChIKeyGJOYWGOQSINFHS-UHFFFAOYSA-N
MW381.93 g/mol
LogP0.45
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119571128) has the molecular formula C14H28ClN5O3S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119571128
Molecular FormulaC14H28ClN5O3S
Molecular Weight381.93 g/mol
Exact Mass381.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1.Cl
InChIInChI=1S/C14H27N5O3S.ClH/c1-5-14(6-2,10-15)18-12(20)7-8-16-23(21,22)13-9-19(4)11(3)17-13;/h9,16H,5-8,10,15H2,1-4H3,(H,18,20);1H
InChIKeyGJOYWGOQSINFHS-UHFFFAOYSA-N
XLogP0.45
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 119616424
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119452987
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
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N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119568695
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448052
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
CID 119519816
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
[2-(2-ethylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 47092510
N-(3-cyanopropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62667388
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119571128) is N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is GJOYWGOQSINFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S.ClH/c1-5-14(6-2,10-15)18-12(20)7-8-16-23(21,22)13-9-19(4)11(3)17-13;/h9,16H,5-8,10,15H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119571128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).