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

C13H27N3O3S — CID 119821628

IUPAC2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-4-8-13(2,14)12(17)15-9-10-6-5-7-11(10)16-20(3,18)19/h10-11,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyCPPGSSHUDSHHAE-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.34
Rot. Bonds7

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

2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide (PubChem CID 119821628) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
PubChem CID119821628
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-4-8-13(2,14)12(17)15-9-10-6-5-7-11(10)16-20(3,18)19/h10-11,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyCPPGSSHUDSHHAE-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119345210
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methylpentanamide
CID 119782577
(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
CID 124733780
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992414
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide (CID 119821628) is 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC1CCCC1NS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide?
The InChIKey is CPPGSSHUDSHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-8-13(2,14)12(17)15-9-10-6-5-7-11(10)16-20(3,18)19/h10-11,16H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide?
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide has a molecular weight of 305.44 g/mol, XLogP of 0.34, 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]-2-methylpentanamide is sourced from PubChem (CID 119821628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).