3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine

C9H17NS — CID 163682439

IUPAC3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine
SMILESC=CSC(CCNC)=C(C)C
InChIInChI=1S/C9H17NS/c1-5-11-9(8(2)3)6-7-10-4/h5,10H,1,6-7H2,2-4H3
InChIKeyJLYLVGHFFZGZCB-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.77
Rot. Bonds5

About 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine

3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine (PubChem CID 163682439) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine
PubChem CID163682439
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine
SMILESC=CSC(CCNC)=C(C)C
InChIInChI=1S/C9H17NS/c1-5-11-9(8(2)3)6-7-10-4/h5,10H,1,6-7H2,2-4H3
InChIKeyJLYLVGHFFZGZCB-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
CID 129027035
Ethane;5-ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953486
Ethane;5-ethenyl-4-ethylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953489
Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 142155612
4-Ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 143138217
N-methyl-2-(4H-thiopyran-2-yl)ethanamine
CID 143283929
ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine
CID 143342053
ethane;(3E)-N-methyl-2-methylidene-4-(methylsulfanylmethyl)hexa-3,5-dien-1-amine
CID 144470946
ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
CID 144566502
(6E,8Z,10E)-6,8-dimethyl-1-thia-4-azacycloundeca-6,8,10-triene
CID 145654294
(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
CID 146580980

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine (CID 163682439) is 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine is C=CSC(CCNC)=C(C)C.
What is the InChIKey of 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine?
The InChIKey is JLYLVGHFFZGZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-11-9(8(2)3)6-7-10-4/h5,10H,1,6-7H2,2-4H3.
What are the key properties of 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine?
3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 163682439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).