N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide

C13H27NO2S — CID 61383803

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H27NO2S/c1-5-8-17(15,16)14-13-9-11(4)6-7-12(13)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeySZGNBPBSEOETNM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.78
Rot. Bonds5

About N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide

N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide (PubChem CID 61383803) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
PubChem CID61383803
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H27NO2S/c1-5-8-17(15,16)14-13-9-11(4)6-7-12(13)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeySZGNBPBSEOETNM-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 164677819
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
N-(2-propan-2-ylcyclohexyl)ethanesulfonamide
CID 59292409
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide (CID 61383803) is N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CC(C)CCC1C(C)C.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide?
The InChIKey is SZGNBPBSEOETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-8-17(15,16)14-13-9-11(4)6-7-12(13)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide?
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 61383803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).