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

C14H30N2O2S — CID 106067403

IUPACN-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H30N2O2S/c1-5-8-15-10-13(4)19(17,18)16-14-7-6-11(2)12(3)9-14/h11-16H,5-10H2,1-4H3
InChIKeyXTSZJPRVDHEWCV-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.12
Rot. Bonds7

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

N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 106067403) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID106067403
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H30N2O2S/c1-5-8-15-10-13(4)19(17,18)16-14-7-6-11(2)12(3)9-14/h11-16H,5-10H2,1-4H3
InChIKeyXTSZJPRVDHEWCV-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 106067378
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
2-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide (CID 106067403) is N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is XTSZJPRVDHEWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-8-15-10-13(4)19(17,18)16-14-7-6-11(2)12(3)9-14/h11-16H,5-10H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide?
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.12, 7 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-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106067403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).