2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide

C11H22N2O4S — CID 65106258

IUPAC2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)7-4-9(12)10(14)13-8-11(15)5-2-3-6-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyIFYKEPYUBAPIBN-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.83
Rot. Bonds6

About 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide

2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide (PubChem CID 65106258) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
PubChem CID65106258
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)7-4-9(12)10(14)13-8-11(15)5-2-3-6-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyIFYKEPYUBAPIBN-UHFFFAOYSA-N
XLogP-0.83
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
CID 55012024
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 43516867
2-[1-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclohexyl]acetic acid
CID 64686099
2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956961
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide (CID 65106258) is 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is IFYKEPYUBAPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(16,17)7-4-9(12)10(14)13-8-11(15)5-2-3-6-11/h9,15H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 278.37 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 65106258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).