N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide

C16H32N2O2S — CID 70939050

IUPACN-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNC2CCCCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-13(2)21(19,20)18-16-10-8-14(9-11-16)12-17-15-6-4-3-5-7-15/h13-18H,3-12H2,1-2H3
InChIKeyWZUMVXNVPPSYNH-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939050) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939050
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNC2CCCCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-13(2)21(19,20)18-16-10-8-14(9-11-16)12-17-15-6-4-3-5-7-15/h13-18H,3-12H2,1-2H3
InChIKeyWZUMVXNVPPSYNH-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide (CID 70939050) is N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNC2CCCCC2)CC1.
What is the InChIKey of N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is WZUMVXNVPPSYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-13(2)21(19,20)18-16-10-8-14(9-11-16)12-17-15-6-4-3-5-7-15/h13-18H,3-12H2,1-2H3.
What are the key properties of N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclohexylamino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).