6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine

C15H21NS — CID 135044251

IUPAC6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine
SMILESC=CCNCCCCC=CSc1ccccc1
InChIInChI=1S/C15H21NS/c1-2-12-16-13-8-3-4-9-14-17-15-10-6-5-7-11-15/h2,5-7,9-11,14,16H,1,3-4,8,12-13H2
InChIKeyCEVHILIMKBZFAN-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.24
Rot. Bonds9

About 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine

6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine (PubChem CID 135044251) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine.

Molecular Properties

Compound Name6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine
PubChem CID135044251
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine
SMILESC=CCNCCCCC=CSc1ccccc1
InChIInChI=1S/C15H21NS/c1-2-12-16-13-8-3-4-9-14-17-15-10-6-5-7-11-15/h2,5-7,9-11,14,16H,1,3-4,8,12-13H2
InChIKeyCEVHILIMKBZFAN-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

non-1-enylsulfanylbenzene
CID 72760837
N-(2-phenylsulfanylethyl)prop-2-en-1-amine
CID 15314258
[(Z)-pent-1-enyl]sulfanylbenzene
CID 10397364
(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256
[(E)-4-phenylsulfanylbut-1-enyl]sulfanylbenzene
CID 15920993
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
S-[(E)-5-phenylsulfanylpent-4-enyl] 1-prop-2-enylindole-2-carbothioate
CID 101242711
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
N-phenylsulfanylpent-4-en-1-amine
CID 24752671

Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine?
The IUPAC name of 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine (CID 135044251) is 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine.
What is the SMILES notation for 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine?
The canonical SMILES for 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine is C=CCNCCCCC=CSc1ccccc1.
What is the InChIKey of 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine?
The InChIKey is CEVHILIMKBZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-12-16-13-8-3-4-9-14-17-15-10-6-5-7-11-15/h2,5-7,9-11,14,16H,1,3-4,8,12-13H2.
What are the key properties of 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine?
6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine has a molecular weight of 247.41 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine is sourced from PubChem (CID 135044251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).