3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine

C9H19NS — CID 10397261

IUPAC3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine
SMILESC=CCCSCCCN(C)C
InChIInChI=1S/C9H19NS/c1-4-5-8-11-9-6-7-10(2)3/h4H,1,5-9H2,2-3H3
InChIKeyOUXJTPLLZUOGDV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.25
Rot. Bonds7

About 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine

3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine (PubChem CID 10397261) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine
PubChem CID10397261
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine
SMILESC=CCCSCCCN(C)C
InChIInChI=1S/C9H19NS/c1-4-5-8-11-9-6-7-10(2)3/h4H,1,5-9H2,2-3H3
InChIKeyOUXJTPLLZUOGDV-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
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

N,N-dimethyl-2,3-dihydrothiophen-2-amine
CID 18974873
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine
CID 54512716
N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine
CID 57311689
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-thiazocine
CID 68315603
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
2,3,4-Trimethyl-2,3,7,8-tetrahydro-1,4-thiazocine
CID 77476556
N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88543479
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine (CID 10397261) is 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine is C=CCCSCCCN(C)C.
What is the InChIKey of 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine?
The InChIKey is OUXJTPLLZUOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-8-11-9-6-7-10(2)3/h4H,1,5-9H2,2-3H3.
What are the key properties of 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine?
3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylsulfanyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10397261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).