N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide

C12H26N2O2S — CID 106067378

IUPACN-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C12H26N2O2S/c1-9-5-6-12(7-10(9)2)14-17(15,16)11(3)8-13-4/h9-14H,5-8H2,1-4H3
InChIKeyLCYMAINATCIVRL-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide

N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106067378) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106067378
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C12H26N2O2S/c1-9-5-6-12(7-10(9)2)14-17(15,16)11(3)8-13-4/h9-14H,5-8H2,1-4H3
InChIKeyLCYMAINATCIVRL-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 114141537
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 107652071
N-cyclohexylbutane-2-sulfonamide
CID 59716186
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092181
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide (CID 106067378) is N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is LCYMAINATCIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9-5-6-12(7-10(9)2)14-17(15,16)11(3)8-13-4/h9-14H,5-8H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide?
N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106067378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).