N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine

C7H13NS — CID 87926217

IUPACN-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
SMILESC=CCSN(C)CC=C
InChIInChI=1S/C7H13NS/c1-4-6-8(3)9-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyDRZMTQDAYLMUKI-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine

N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine (PubChem CID 87926217) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
PubChem CID87926217
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
SMILESC=CCSN(C)CC=C
InChIInChI=1S/C7H13NS/c1-4-6-8(3)9-7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyDRZMTQDAYLMUKI-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine?
The IUPAC name of N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine (CID 87926217) is N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine?
The canonical SMILES for N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine is C=CCSN(C)CC=C.
What is the InChIKey of N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine?
The InChIKey is DRZMTQDAYLMUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-6-8(3)9-7-5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine?
N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 87926217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).