N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide

C16H32N2O4S2 — CID 67266625

IUPACN-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCCCC1)C(NS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H32N2O4S2/c1-23(19,20)17-15(13-9-5-3-6-10-13)16(18-24(2,21)22)14-11-7-4-8-12-14/h13-18H,3-12H2,1-2H3
InChIKeyAJXCQRLXAZQPCQ-UHFFFAOYSA-N
MW380.58 g/mol
LogP1.98
Rot. Bonds7

About N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide

N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide (PubChem CID 67266625) has the molecular formula C16H32N2O4S2 and a molecular weight of 380.58 g/mol. Its IUPAC name is N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide
PubChem CID67266625
Molecular FormulaC16H32N2O4S2
Molecular Weight380.58 g/mol
Exact Mass380.18
IUPAC NameN-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCCCC1)C(NS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H32N2O4S2/c1-23(19,20)17-15(13-9-5-3-6-10-13)16(18-24(2,21)22)14-11-7-4-8-12-14/h13-18H,3-12H2,1-2H3
InChIKeyAJXCQRLXAZQPCQ-UHFFFAOYSA-N
XLogP1.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide?
The IUPAC name of N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide (CID 67266625) is N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide?
The canonical SMILES for N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide is CS(=O)(=O)NC(C1CCCCC1)C(NS(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide?
The InChIKey is AJXCQRLXAZQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4S2/c1-23(19,20)17-15(13-9-5-3-6-10-13)16(18-24(2,21)22)14-11-7-4-8-12-14/h13-18H,3-12H2,1-2H3.
What are the key properties of N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide?
N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide has a molecular weight of 380.58 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide is sourced from PubChem (CID 67266625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).