3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide

C14H30N2O2S — CID 106077359

IUPAC3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-7-15-5/h12,15-16H,6-11H2,1-5H3
InChIKeyCCMPXSKCDPSPRD-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.12
Rot. Bonds6

About 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide

3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide (PubChem CID 106077359) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
PubChem CID106077359
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-7-15-5/h12,15-16H,6-11H2,1-5H3
InChIKeyCCMPXSKCDPSPRD-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
CID 103965500
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
3-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1-sulfonamide
CID 79357478
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide (CID 106077359) is 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide is CNCCCS(=O)(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide?
The InChIKey is CCMPXSKCDPSPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2)9-12(10-14(3,4)11-13)16-19(17,18)8-6-7-15-5/h12,15-16H,6-11H2,1-5H3.
What are the key properties of 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide?
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 106077359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).