N-ethyl-N-prop-2-enylsulfanylethanamine

C7H15NS — CID 134892228

IUPACN-ethyl-N-prop-2-enylsulfanylethanamine
SMILESC=CCSN(CC)CC
InChIInChI=1S/C7H15NS/c1-4-7-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyFCPJTXPKKQMTGQ-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-N-prop-2-enylsulfanylethanamine

N-ethyl-N-prop-2-enylsulfanylethanamine (PubChem CID 134892228) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylsulfanylethanamine
PubChem CID134892228
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-ethyl-N-prop-2-enylsulfanylethanamine
SMILESC=CCSN(CC)CC
InChIInChI=1S/C7H15NS/c1-4-7-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyFCPJTXPKKQMTGQ-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3,6-dihydro-1,2-thiazine
CID 89789611
N-methyl-N-prop-2-enylsulfanylmethanamine
CID 134871379
2-methyl-3H-1,2-thiazole
CID 18676727
2-ethyl-3H-1,2-thiazole 1-oxide
CID 19372401
2-(Methyl-2-propen-1-ylamino)ethanethiol
CID 22567655
2-tert-butyl-3H-1,2-thiazole
CID 58408085
2-prop-2-enyl-3H-1,2-thiazole
CID 70391304
N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
CID 87926217
N-prop-2-enyl-N-prop-2-enylsulfanylprop-2-en-1-amine
CID 87933712
N-ethylsulfanyl-N-prop-2-enylprop-2-en-1-amine
CID 88861690
N-ethyl-N-methylsulfanylprop-2-en-1-amine
CID 89020863
2-ethyl-3H-1,2-thiazole
CID 118394366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enylsulfanylethanamine?
The IUPAC name of N-ethyl-N-prop-2-enylsulfanylethanamine (CID 134892228) is N-ethyl-N-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-ethyl-N-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-ethyl-N-prop-2-enylsulfanylethanamine is C=CCSN(CC)CC.
What is the InChIKey of N-ethyl-N-prop-2-enylsulfanylethanamine?
The InChIKey is FCPJTXPKKQMTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7-9-8(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-N-prop-2-enylsulfanylethanamine?
N-ethyl-N-prop-2-enylsulfanylethanamine has a molecular weight of 145.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 134892228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).