2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C15H23N3O3S — CID 964127

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)C1CCCCC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,17,19)
InChIKeyBTVRDUKSMMUEKV-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.29
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 964127) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID964127
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)C1CCCCC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,17,19)
InChIKeyBTVRDUKSMMUEKV-UHFFFAOYSA-N
XLogP1.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 964127) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1cccnc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BTVRDUKSMMUEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18(14-7-3-2-4-8-14)12-15(19)17-11-13-6-5-9-16-10-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 964127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).