2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide

C15H26N2O4S — CID 75406061

IUPAC2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CS(=O)(=O)CC1CCCCC1)NC1CCCCNC1=O
InChIInChI=1S/C15H26N2O4S/c18-14(17-13-8-4-5-9-16-15(13)19)11-22(20,21)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,19)(H,17,18)
InChIKeyDFRMQNURQCDHLL-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.77
Rot. Bonds5

About 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide

2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 75406061) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID75406061
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CS(=O)(=O)CC1CCCCC1)NC1CCCCNC1=O
InChIInChI=1S/C15H26N2O4S/c18-14(17-13-8-4-5-9-16-15(13)19)11-22(20,21)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,19)(H,17,18)
InChIKeyDFRMQNURQCDHLL-UHFFFAOYSA-N
XLogP0.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide (CID 75406061) is 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide is O=C(CS(=O)(=O)CC1CCCCC1)NC1CCCCNC1=O.
What is the InChIKey of 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is DFRMQNURQCDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c18-14(17-13-8-4-5-9-16-15(13)19)11-22(20,21)10-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,19)(H,17,18).
What are the key properties of 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide?
2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 75406061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).