N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide

C12H26N2O2S2 — CID 114123735

IUPACN-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C12H26N2O2S2/c1-10(2)13-8-9-18(15,16)14-11-4-6-12(17-3)7-5-11/h10-14H,4-9H2,1-3H3
InChIKeyASKDXDWQCQGOGT-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.58
Rot. Bonds7

About N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 114123735) has the molecular formula C12H26N2O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID114123735
Molecular FormulaC12H26N2O2S2
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC NameN-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)CCNC(C)C)CC1
InChIInChI=1S/C12H26N2O2S2/c1-10(2)13-8-9-18(15,16)14-11-4-6-12(17-3)7-5-11/h10-14H,4-9H2,1-3H3
InChIKeyASKDXDWQCQGOGT-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
3-[2-(propan-2-ylamino)ethylsulfonylamino]cyclohexane-1-carboxylic acid
CID 169177435
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-(1-ethylsulfonylpropan-2-yl)-4-methylsulfanylcyclohexan-1-amine
CID 114122601
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 114123735) is N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide is CSC1CCC(NS(=O)(=O)CCNC(C)C)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ASKDXDWQCQGOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S2/c1-10(2)13-8-9-18(15,16)14-11-4-6-12(17-3)7-5-11/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 294.49 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114123735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).