N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide

C14H25NOS — CID 102107435

IUPACN-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
SMILESC=CCC(NS(=O)C(C)(C)C)C1C=CCCC1
InChIInChI=1S/C14H25NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,7,10,12-13,15H,1,6,8-9,11H2,2-4H3
InChIKeyQDPAVLYFHTXPHY-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.34
Rot. Bonds5

About N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide

N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide (PubChem CID 102107435) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
PubChem CID102107435
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
SMILESC=CCC(NS(=O)C(C)(C)C)C1C=CCCC1
InChIInChI=1S/C14H25NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,7,10,12-13,15H,1,6,8-9,11H2,2-4H3
InChIKeyQDPAVLYFHTXPHY-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
N-[(1R)-1-(cyclohexen-1-yl)propyl]-2-methylpropane-2-sulfinamide
CID 138970584
N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
CID 56839416
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
CID 58760675

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide (CID 102107435) is N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide is C=CCC(NS(=O)C(C)(C)C)C1C=CCCC1.
What is the InChIKey of N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide?
The InChIKey is QDPAVLYFHTXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-9-13(12-10-7-6-8-11-12)15-17(16)14(2,3)4/h5,7,10,12-13,15H,1,6,8-9,11H2,2-4H3.
What are the key properties of N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide?
N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide has a molecular weight of 255.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102107435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).