N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 55174883

IUPACN-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC(NS(=O)(=O)CC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H26N2O3S/c14-9-13(11-5-2-1-3-6-11)15-19(16,17)10-12-7-4-8-18-12/h11-13,15H,1-10,14H2
InChIKeyXOMYQZGZRDCFSK-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174883) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174883
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC(NS(=O)(=O)CC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H26N2O3S/c14-9-13(11-5-2-1-3-6-11)15-19(16,17)10-12-7-4-8-18-12/h11-13,15H,1-10,14H2
InChIKeyXOMYQZGZRDCFSK-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 55174883) is N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide is NCC(NS(=O)(=O)CC1CCCO1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XOMYQZGZRDCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c14-9-13(11-5-2-1-3-6-11)15-19(16,17)10-12-7-4-8-18-12/h11-13,15H,1-10,14H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).