4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid

C17H24N2O4S — CID 69142027

IUPAC4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)N(CC1CC1)c1ccccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4S/c1-24(22,23)19(12-13-6-7-13)16-5-3-2-4-15(16)14-8-10-18(11-9-14)17(20)21/h2-5,13-14H,6-12H2,1H3,(H,20,21)
InChIKeyOXESUHRMJFQRTE-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.72
Rot. Bonds5

About 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid

4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid (PubChem CID 69142027) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid
PubChem CID69142027
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)N(CC1CC1)c1ccccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4S/c1-24(22,23)19(12-13-6-7-13)16-5-3-2-4-15(16)14-8-10-18(11-9-14)17(20)21/h2-5,13-14H,6-12H2,1H3,(H,20,21)
InChIKeyOXESUHRMJFQRTE-UHFFFAOYSA-N
XLogP2.72
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid (CID 69142027) is 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid is CS(=O)(=O)N(CC1CC1)c1ccccc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid?
The InChIKey is OXESUHRMJFQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-24(22,23)19(12-13-6-7-13)16-5-3-2-4-15(16)14-8-10-18(11-9-14)17(20)21/h2-5,13-14H,6-12H2,1H3,(H,20,21).
What are the key properties of 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid?
4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid has a molecular weight of 352.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69142027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).