N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide

C10H20N2O2S — CID 106336852

IUPACN-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1C=CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-9-5-8-11-10-6-3-2-4-7-10/h3,6,10-12H,2,4-5,7-9H2,1H3
InChIKeyXYRUMHBQDBESRE-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.62
Rot. Bonds6

About N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide

N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide (PubChem CID 106336852) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide
PubChem CID106336852
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1C=CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-9-5-8-11-10-6-3-2-4-7-10/h3,6,10-12H,2,4-5,7-9H2,1H3
InChIKeyXYRUMHBQDBESRE-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 42627351
3-[[(1R)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 53361980
1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
CID 66899353
(E,5S)-7-methylsulfonyl-5-N-propan-2-ylhept-6-ene-1,5-diamine
CID 89517076
N-[2-(3-cyclohexa-1,4-dien-1-ylpropylamino)ethyl]methanesulfonamide
CID 117713277
methanesulfonamide;prop-1-ene;2-[(E)-prop-1-enyl]pyrrolidine
CID 143261417
2-(Cyclohex-2-en-1-ylamino)ethanesulfonate
CID 153294154
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane;N-methyl-N-propan-2-ylmethanesulfinamide
CID 167493575
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
CID 167494004
N-cyclohex-2-en-1-ylmethanesulfonamide;ethane
CID 172287631
N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 43432044
N-[3-(cyclohex-3-en-1-ylmethylamino)propyl]-N-ethylmethanesulfonamide
CID 54903393

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide (CID 106336852) is N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1C=CCCC1.
What is the InChIKey of N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide?
The InChIKey is XYRUMHBQDBESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-9-5-8-11-10-6-3-2-4-7-10/h3,6,10-12H,2,4-5,7-9H2,1H3.
What are the key properties of N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide?
N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohex-2-en-1-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).