4-cyclohexylsulfonyl-N-methylpentan-2-amine

C12H25NO2S — CID 64704594

IUPAC4-cyclohexylsulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-10(13-3)9-11(2)16(14,15)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeySXECFLUXBVEHRV-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds5

About 4-cyclohexylsulfonyl-N-methylpentan-2-amine

4-cyclohexylsulfonyl-N-methylpentan-2-amine (PubChem CID 64704594) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-cyclohexylsulfonyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-cyclohexylsulfonyl-N-methylpentan-2-amine
PubChem CID64704594
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-cyclohexylsulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-10(13-3)9-11(2)16(14,15)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeySXECFLUXBVEHRV-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfonyl-N-methylpentan-2-amine?
The IUPAC name of 4-cyclohexylsulfonyl-N-methylpentan-2-amine (CID 64704594) is 4-cyclohexylsulfonyl-N-methylpentan-2-amine.
What is the SMILES notation for 4-cyclohexylsulfonyl-N-methylpentan-2-amine?
The canonical SMILES for 4-cyclohexylsulfonyl-N-methylpentan-2-amine is CNC(C)CC(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfonyl-N-methylpentan-2-amine?
The InChIKey is SXECFLUXBVEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(13-3)9-11(2)16(14,15)12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-cyclohexylsulfonyl-N-methylpentan-2-amine?
4-cyclohexylsulfonyl-N-methylpentan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfonyl-N-methylpentan-2-amine is sourced from PubChem (CID 64704594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).