4-ethenylsulfanyl-N-methylpent-4-en-1-amine

C8H15NS — CID 143923324

IUPAC4-ethenylsulfanyl-N-methylpent-4-en-1-amine
SMILESC=CSC(=C)CCCNC
InChIInChI=1S/C8H15NS/c1-4-10-8(2)6-5-7-9-3/h4,9H,1-2,5-7H2,3H3
InChIKeyWNFJHGVMHXQLPD-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.38
Rot. Bonds6

About 4-ethenylsulfanyl-N-methylpent-4-en-1-amine

4-ethenylsulfanyl-N-methylpent-4-en-1-amine (PubChem CID 143923324) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-ethenylsulfanyl-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name4-ethenylsulfanyl-N-methylpent-4-en-1-amine
PubChem CID143923324
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-ethenylsulfanyl-N-methylpent-4-en-1-amine
SMILESC=CSC(=C)CCCNC
InChIInChI=1S/C8H15NS/c1-4-10-8(2)6-5-7-9-3/h4,9H,1-2,5-7H2,3H3
InChIKeyWNFJHGVMHXQLPD-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine
CID 89143500
(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 89177349
1-(2,3-dihydrothiophen-2-yl)-N-methylmethanamine
CID 89258846
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
CID 123829902
2-ethyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 124011774
N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
CID 138478273
N-methyl-2,3-dihydrothiophen-2-amine
CID 140342709

Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanyl-N-methylpent-4-en-1-amine?
The IUPAC name of 4-ethenylsulfanyl-N-methylpent-4-en-1-amine (CID 143923324) is 4-ethenylsulfanyl-N-methylpent-4-en-1-amine.
What is the SMILES notation for 4-ethenylsulfanyl-N-methylpent-4-en-1-amine?
The canonical SMILES for 4-ethenylsulfanyl-N-methylpent-4-en-1-amine is C=CSC(=C)CCCNC.
What is the InChIKey of 4-ethenylsulfanyl-N-methylpent-4-en-1-amine?
The InChIKey is WNFJHGVMHXQLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-10-8(2)6-5-7-9-3/h4,9H,1-2,5-7H2,3H3.
What are the key properties of 4-ethenylsulfanyl-N-methylpent-4-en-1-amine?
4-ethenylsulfanyl-N-methylpent-4-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-N-methylpent-4-en-1-amine is sourced from PubChem (CID 143923324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).