N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide

C12H26N2O2S — CID 114141537

IUPACN-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)C(C)CNC)C1
InChIInChI=1S/C12H26N2O2S/c1-4-11-6-5-7-12(8-11)14-17(15,16)10(2)9-13-3/h10-14H,4-9H2,1-3H3
InChIKeySRUSAXXWEIQDBN-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.48
Rot. Bonds6

About N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide

N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 114141537) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID114141537
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)C(C)CNC)C1
InChIInChI=1S/C12H26N2O2S/c1-4-11-6-5-7-12(8-11)14-17(15,16)10(2)9-13-3/h10-14H,4-9H2,1-3H3
InChIKeySRUSAXXWEIQDBN-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 106067378
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141536
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N-cyclohexylbutane-2-sulfonamide
CID 59716186
2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798
N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 99810517
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide (CID 114141537) is N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide is CCC1CCCC(NS(=O)(=O)C(C)CNC)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is SRUSAXXWEIQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-11-6-5-7-12(8-11)14-17(15,16)10(2)9-13-3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 114141537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).