N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

C15H23N3O3S — CID 113140010

IUPACN-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(12-13-6-9-16-10-7-13)11-8-15(19)17-14-4-2-3-5-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,17,19)
InChIKeyMUKPJFABKHRESW-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.29
Rot. Bonds7

About N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140010) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140010
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(12-13-6-9-16-10-7-13)11-8-15(19)17-14-4-2-3-5-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,17,19)
InChIKeyMUKPJFABKHRESW-UHFFFAOYSA-N
XLogP1.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140010) is N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)Cc1ccncc1.
What is the InChIKey of N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is MUKPJFABKHRESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18(12-13-6-9-16-10-7-13)11-8-15(19)17-14-4-2-3-5-14/h6-7,9-10,14H,2-5,8,11-12H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 325.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).