1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide

C11H22N2O3S — CID 64631433

IUPAC1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O3S/c1-9(7-17(2,15)16)13-10(14)11(8-12)5-3-4-6-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMCNMCFRXOKFLBE-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.05
Rot. Bonds5

About 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 64631433) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
PubChem CID64631433
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H22N2O3S/c1-9(7-17(2,15)16)13-10(14)11(8-12)5-3-4-6-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMCNMCFRXOKFLBE-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide
CID 16269011
N-(7-amino-1-methylsulfonyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
CID 134356445
(1S,11R)-2-propylsulfonyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199334
N-[2-(ethylsulfonylamino)ethyl]-1-methylcyclopentane-1-carboxamide
CID 53560566
N,N-dimethyl-1-[[(2-methyl-3-methylsulfanylpropanoyl)amino]methyl]cyclopentane-1-carboxamide
CID 56789790
2-(3-Cyclopentylsulfonylpropanoylamino)cyclopentane-1-carboxamide
CID 72124621
N-(1,1-dioxothian-4-yl)-2,2-dimethylhexanamide
CID 118669227
2,2-dimethyl-N-(2-methylsulfonylethyl)hexanamide
CID 118669244
3-amino-3-(4-amino-1,1-dioxothiolan-3-yl)-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
CID 123289291
2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
CID 130266058
N-(1,1-dioxothian-4-yl)-2,2,5,5-tetramethylhexanamide
CID 130266123
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide
CID 130272266

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide (CID 64631433) is 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is MCNMCFRXOKFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(7-17(2,15)16)13-10(14)11(8-12)5-3-4-6-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64631433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).