2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide

C11H22N2O4S — CID 55033805

IUPAC2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide
SMILESCOC1CCCC1NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-17-10-5-3-4-9(10)13-11(14)8(12)6-7-18(2,15)16/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyJCNSSTSRDCHKCJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.57
Rot. Bonds6

About 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide

2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide (PubChem CID 55033805) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide
PubChem CID55033805
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide
SMILESCOC1CCCC1NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-17-10-5-3-4-9(10)13-11(14)8(12)6-7-18(2,15)16/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyJCNSSTSRDCHKCJ-UHFFFAOYSA-N
XLogP-0.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide (CID 55033805) is 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide is COC1CCCC1NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide?
The InChIKey is JCNSSTSRDCHKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-10-5-3-4-9(10)13-11(14)8(12)6-7-18(2,15)16/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide has a molecular weight of 278.37 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxycyclopentyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 55033805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).