N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide

C11H21NO2S — CID 102035360

IUPACN-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide
SMILESC=C(C)[C@H]1CC[C@H](C)[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H21NO2S/c1-8(2)10-6-5-9(3)11(7-10)12-15(4,13)14/h9-12H,1,5-7H2,2-4H3/t9-,10-,11-/m0/s1
InChIKeyNZIJBGMLNKJVMD-DCAQKATOSA-N
MW231.36 g/mol
LogP1.92
Rot. Bonds3

About N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide

N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide (PubChem CID 102035360) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide
PubChem CID102035360
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide
SMILESC=C(C)[C@H]1CC[C@H](C)[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C11H21NO2S/c1-8(2)10-6-5-9(3)11(7-10)12-15(4,13)14/h9-12H,1,5-7H2,2-4H3/t9-,10-,11-/m0/s1
InChIKeyNZIJBGMLNKJVMD-DCAQKATOSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475
N-(2,5-dimethylcyclopentyl)methanesulfonamide
CID 130694153
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
N-[(1R,2R)-2-iodocyclopropyl]methanesulfonamide
CID 89002805
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123269209
cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide
CID 97091522
[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
CID 58980511
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide (CID 102035360) is N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide is C=C(C)[C@H]1CC[C@H](C)[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide?
The InChIKey is NZIJBGMLNKJVMD-DCAQKATOSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)10-6-5-9(3)11(7-10)12-15(4,13)14/h9-12H,1,5-7H2,2-4H3/t9-,10-,11-/m0/s1.
What are the key properties of N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide?
N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 102035360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).