(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide

C13H23NOS — CID 11276537

IUPAC(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide
SMILESC=CC[C@H](SC1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C13H23NOS/c1-4-8-12(13(15)14(2)3)16-11-9-6-5-7-10-11/h4,11-12H,1,5-10H2,2-3H3/t12-/m0/s1
InChIKeyYQLSGFPDQIKLON-LBPRGKRZSA-N
MW241.40 g/mol
LogP3.09
Rot. Bonds5

About (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide

(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide (PubChem CID 11276537) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide
PubChem CID11276537
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide
SMILESC=CC[C@H](SC1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C13H23NOS/c1-4-8-12(13(15)14(2)3)16-11-9-6-5-7-10-11/h4,11-12H,1,5-10H2,2-3H3/t12-/m0/s1
InChIKeyYQLSGFPDQIKLON-LBPRGKRZSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 83618462
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1-cyclohexylbut-3-enyl acetate
CID 11481011
but-3-en-2-ylsulfanylcyclopentane
CID 59882078
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-cyclopentylsulfanylpentanehydrazide
CID 83048342
[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl] formate
CID 141112494
2-cyclohexylsulfanyl-3-methylhexanoic acid
CID 107886292
3-cyclohexylsulfanylpentanoic acid
CID 63098256
4-cyclohexylsulfanylpentanoic acid
CID 62213265
2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
CID 76915858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide?
The IUPAC name of (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide (CID 11276537) is (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide.
What is the SMILES notation for (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide?
The canonical SMILES for (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide is C=CC[C@H](SC1CCCCC1)C(=O)N(C)C.
What is the InChIKey of (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide?
The InChIKey is YQLSGFPDQIKLON-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-8-12(13(15)14(2)3)16-11-9-6-5-7-10-11/h4,11-12H,1,5-10H2,2-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide?
(2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide has a molecular weight of 241.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexylsulfanyl-N,N-dimethylpent-4-enamide is sourced from PubChem (CID 11276537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).