N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide

C15H30N2O4S2 — CID 4692066

IUPACN-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CC2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H30N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h12-17H,3-11H2,1-2H3
InChIKeyNDJCPWCYGBCTRZ-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.59
Rot. Bonds6

About N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide

N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide (PubChem CID 4692066) has the molecular formula C15H30N2O4S2 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide
PubChem CID4692066
Molecular FormulaC15H30N2O4S2
Molecular Weight366.55 g/mol
Exact Mass366.16
IUPAC NameN-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CC2CCC(NS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H30N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h12-17H,3-11H2,1-2H3
InChIKeyNDJCPWCYGBCTRZ-UHFFFAOYSA-N
XLogP1.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide (CID 4692066) is N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CC2CCC(NS(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is NDJCPWCYGBCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S2/c1-22(18,19)16-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17-23(2,20)21/h12-17H,3-11H2,1-2H3.
What are the key properties of N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide?
N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 366.55 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(methanesulfonamido)cyclohexyl]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 4692066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).