2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride

C13H28ClN3O3S — CID 119821615

IUPAC2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1CCCC1NS(C)(=O)=O.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-4-9(2)12(14)13(17)15-8-10-6-5-7-11(10)16-20(3,18)19;/h9-12,16H,4-8,14H2,1-3H3,(H,15,17);1H
InChIKeyBJNMRSNRRWSELW-UHFFFAOYSA-N
MW341.91 g/mol
LogP0.62
Rot. Bonds7

About 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119821615) has the molecular formula C13H28ClN3O3S and a molecular weight of 341.91 g/mol. Its IUPAC name is 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
PubChem CID119821615
Molecular FormulaC13H28ClN3O3S
Molecular Weight341.91 g/mol
Exact Mass341.15
IUPAC Name2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1CCCC1NS(C)(=O)=O.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-4-9(2)12(14)13(17)15-8-10-6-5-7-11(10)16-20(3,18)19;/h9-12,16H,4-8,14H2,1-3H3,(H,15,17);1H
InChIKeyBJNMRSNRRWSELW-UHFFFAOYSA-N
XLogP0.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
CID 124733780
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821595
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
CID 119821628
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride (CID 119821615) is 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC1CCCC1NS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is BJNMRSNRRWSELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S.ClH/c1-4-9(2)12(14)13(17)15-8-10-6-5-7-11(10)16-20(3,18)19;/h9-12,16H,4-8,14H2,1-3H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119821615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).