N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine

C9H23N3S — CID 129213644

IUPACN-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine
SMILESC=CCS(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C9H23N3S/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8H,1,9H2,2-7H3
InChIKeyLXZZVOKLYOUZRB-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.41
Rot. Bonds5

About N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine

N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine (PubChem CID 129213644) has the molecular formula C9H23N3S and a molecular weight of 205.37 g/mol. Its IUPAC name is N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine
PubChem CID129213644
Molecular FormulaC9H23N3S
Molecular Weight205.37 g/mol
Exact Mass205.16
IUPAC NameN-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine
SMILESC=CCS(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C9H23N3S/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8H,1,9H2,2-7H3
InChIKeyLXZZVOKLYOUZRB-UHFFFAOYSA-N
XLogP1.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine (CID 129213644) is N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine is C=CCS(N(C)C)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine?
The InChIKey is LXZZVOKLYOUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3S/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8H,1,9H2,2-7H3.
What are the key properties of N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine has a molecular weight of 205.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-prop-2-enyl-λ4-sulfanyl]-N-methylmethanamine is sourced from PubChem (CID 129213644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).