N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide

C13H27NO2S — CID 134966542

IUPACN-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
SMILESCC[C@H]1CCCCC(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-5-11-8-6-7-9-12(10-11)14-17(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyQCRQNODEXWXXIO-PXYINDEMSA-N
MW261.43 g/mol
LogP3.06
Rot. Bonds3

About N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide

N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide (PubChem CID 134966542) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
PubChem CID134966542
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
SMILESCC[C@H]1CCCCC(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-5-11-8-6-7-9-12(10-11)14-17(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyQCRQNODEXWXXIO-PXYINDEMSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
CID 134966480
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
N-(6-methylheptan-2-yl)methanesulfonamide
CID 2916151
N-(2-cycloheptylethyl)methanesulfonamide
CID 17617094
N-(6-ethyloctan-2-yl)methanesulfonamide
CID 23573810
N-(3-cycloheptylpropyl)methanesulfonamide
CID 54015622
N-(cycloheptylmethyl)propane-2-sulfonamide
CID 57118217
N-[(3S)-2,5-dimethylheptan-3-yl]methanesulfonamide
CID 58909071
2-methyl-N-(4-methylcyclohexyl)propane-2-sulfonamide
CID 59582578
N-cycloheptyl-2-methylpropane-2-sulfonamide
CID 71034549
N-(6-methylheptan-3-yl)methanesulfonamide
CID 87554642
N-(6-amino-2-ethylheptyl)methanesulfonamide
CID 118909031

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide (CID 134966542) is N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide is CC[C@H]1CCCCC(NS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide?
The InChIKey is QCRQNODEXWXXIO-PXYINDEMSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-11-8-6-7-9-12(10-11)14-17(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide?
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134966542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).