2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid

C14H20N2O4S — CID 60864750

IUPAC2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O4S/c17-14(18)11-16(13-6-1-2-7-13)21(19,20)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18)
InChIKeyTUYWWRNVNVNFAB-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.28
Rot. Bonds7

About 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid

2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid (PubChem CID 60864750) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
PubChem CID60864750
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O4S/c17-14(18)11-16(13-6-1-2-7-13)21(19,20)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18)
InChIKeyTUYWWRNVNVNFAB-UHFFFAOYSA-N
XLogP1.28
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-[2-pyridin-2-ylethylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265465
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 79116756
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid (CID 60864750) is 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The InChIKey is TUYWWRNVNVNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(18)11-16(13-6-1-2-7-13)21(19,20)10-8-12-5-3-4-9-15-12/h3-5,9,13H,1-2,6-8,10-11H2,(H,17,18).
What are the key properties of 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60864750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).