N-phenylsulfanylpent-4-en-1-amine

C11H15NS — CID 24752671

IUPACN-phenylsulfanylpent-4-en-1-amine
SMILESC=CCCCNSc1ccccc1
InChIInChI=1S/C11H15NS/c1-2-3-7-10-12-13-11-8-5-4-6-9-11/h2,4-6,8-9,12H,1,3,7,10H2
InChIKeyBIXXZEUXEXZRHJ-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.25
Rot. Bonds6

About N-phenylsulfanylpent-4-en-1-amine

N-phenylsulfanylpent-4-en-1-amine (PubChem CID 24752671) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-phenylsulfanylpent-4-en-1-amine.

Molecular Properties

Compound NameN-phenylsulfanylpent-4-en-1-amine
PubChem CID24752671
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-phenylsulfanylpent-4-en-1-amine
SMILESC=CCCCNSc1ccccc1
InChIInChI=1S/C11H15NS/c1-2-3-7-10-12-13-11-8-5-4-6-9-11/h2,4-6,8-9,12H,1,3,7,10H2
InChIKeyBIXXZEUXEXZRHJ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.25
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-phenylsulfanylpropane-1,3-diamine
CID 126639034
N-oct-7-enylaniline
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S-phenyl pent-4-enethioate
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(3R,4R)-1-phenylsulfanylnon-8-ene-3,4-diol
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6-phenylsulfanyl-N-prop-2-enylhex-5-en-1-amine
CID 135044251
hex-1-ene;toluene
CID 22480689
hept-6-enylbenzene
CID 15608161
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CID 14785129
N-(2-phenylsulfanylethyl)prop-2-en-1-amine
CID 15314258
1-(benzenesulfonyl)hept-6-enylgermane
CID 175532573
N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide
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N-benzyl-2-pent-4-enoxyethanamine
CID 79114606

Frequently Asked Questions

What is the IUPAC name of N-phenylsulfanylpent-4-en-1-amine?
The IUPAC name of N-phenylsulfanylpent-4-en-1-amine (CID 24752671) is N-phenylsulfanylpent-4-en-1-amine.
What is the SMILES notation for N-phenylsulfanylpent-4-en-1-amine?
The canonical SMILES for N-phenylsulfanylpent-4-en-1-amine is C=CCCCNSc1ccccc1.
What is the InChIKey of N-phenylsulfanylpent-4-en-1-amine?
The InChIKey is BIXXZEUXEXZRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-3-7-10-12-13-11-8-5-4-6-9-11/h2,4-6,8-9,12H,1,3,7,10H2.
What are the key properties of N-phenylsulfanylpent-4-en-1-amine?
N-phenylsulfanylpent-4-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylsulfanylpent-4-en-1-amine is sourced from PubChem (CID 24752671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).