N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide

C14H29NO2S — CID 99810517

IUPACN-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC[C@H]1CCC[C@@H](NS(=O)(=O)CCC(C)(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-5-12-7-6-8-13(11-12)15-18(16,17)10-9-14(2,3)4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyZRIYEVHBEQEMPV-QWHCGFSZSA-N
MW275.46 g/mol
LogP3.31
Rot. Bonds5

About N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide

N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 99810517) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID99810517
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC[C@H]1CCC[C@@H](NS(=O)(=O)CCC(C)(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-5-12-7-6-8-13(11-12)15-18(16,17)10-9-14(2,3)4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyZRIYEVHBEQEMPV-QWHCGFSZSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798
N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141536
N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 114141537
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
CID 112746927

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide (CID 99810517) is N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide is CC[C@H]1CCC[C@@H](NS(=O)(=O)CCC(C)(C)C)C1.
What is the InChIKey of N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is ZRIYEVHBEQEMPV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-12-7-6-8-13(11-12)15-18(16,17)10-9-14(2,3)4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 99810517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).