N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide

C19H31NO4S — CID 95864987

IUPACN-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1OCCC
InChIInChI=1S/C19H31NO4S/c1-4-12-23-18-11-10-16(14-19(18)24-13-5-2)25(21,22)20-17-9-7-6-8-15(17)3/h10-11,14-15,17,20H,4-9,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyDVZVDGDOOBZBFH-RDJZCZTQSA-N
MW369.53 g/mol
LogP4.12
Rot. Bonds9

About N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide

N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide (PubChem CID 95864987) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
PubChem CID95864987
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1OCCC
InChIInChI=1S/C19H31NO4S/c1-4-12-23-18-11-10-16(14-19(18)24-13-5-2)25(21,22)20-17-9-7-6-8-15(17)3/h10-11,14-15,17,20H,4-9,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyDVZVDGDOOBZBFH-RDJZCZTQSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide (CID 95864987) is N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1OCCC.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide?
The InChIKey is DVZVDGDOOBZBFH-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-4-12-23-18-11-10-16(14-19(18)24-13-5-2)25(21,22)20-17-9-7-6-8-15(17)3/h10-11,14-15,17,20H,4-9,12-13H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide?
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide has a molecular weight of 369.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide is sourced from PubChem (CID 95864987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).