N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide

C14H30N2O4S2 — CID 11420031

IUPACN-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCC
InChIInChI=1S/C14H30N2O4S2/c1-3-5-11-21(17,18)15-13-9-7-8-10-14(13)16-22(19,20)12-6-4-2/h13-16H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyJUGCCRUREILMAM-ZIAGYGMSSA-N
MW354.54 g/mol
LogP1.74
Rot. Bonds10

About N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide

N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide (PubChem CID 11420031) has the molecular formula C14H30N2O4S2 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide
PubChem CID11420031
Molecular FormulaC14H30N2O4S2
Molecular Weight354.54 g/mol
Exact Mass354.16
IUPAC NameN-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCC
InChIInChI=1S/C14H30N2O4S2/c1-3-5-11-21(17,18)15-13-9-7-8-10-14(13)16-22(19,20)12-6-4-2/h13-16H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyJUGCCRUREILMAM-ZIAGYGMSSA-N
XLogP1.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
N,N''-(heptane-1,7-diyl)dipropane-2-sulfonamide
CID 9902629
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
(Methylsulfonyl){4-[(methylsulfonyl)amino]cyclohexyl}amine
CID 1530175
Platinum(II), (cyclohexane-1,2-diammine)bis(methanesulfanato-O-)-
CID 152704
N-((1S,2S)-2-methanesulfonamidocyclohexyl)methanesulfonamide
CID 56972046
rac-N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide
CID 69344413
rac-N-((1R,2R)-2-aminocyclohexyl)cyclopropanesulfonamide hydrochloride
CID 119033460
rac-N-((1R,2R)-2-aminocyclohexyl)methanesulfonamide hydrochloride
CID 137832727
N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide
CID 11043842
2-Sulfanylethane-1-sulfonic acid--cyclohexanamine (1/1)
CID 23049873

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide (CID 11420031) is N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCC.
What is the InChIKey of N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide?
The InChIKey is JUGCCRUREILMAM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H30N2O4S2/c1-3-5-11-21(17,18)15-13-9-7-8-10-14(13)16-22(19,20)12-6-4-2/h13-16H,3-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide?
N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide has a molecular weight of 354.54 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide is sourced from PubChem (CID 11420031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).