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

C7H17NS — CID 170210005

IUPACN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine
SMILESC=CCS(C)(C)N(C)C
InChIInChI=1S/C7H17NS/c1-6-7-9(4,5)8(2)3/h6H,1,7H2,2-5H3
InChIKeyUSJJYJBBDIOJBQ-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.71
Rot. Bonds3

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

N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine (PubChem CID 170210005) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine
PubChem CID170210005
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine
SMILESC=CCS(C)(C)N(C)C
InChIInChI=1S/C7H17NS/c1-6-7-9(4,5)8(2)3/h6H,1,7H2,2-5H3
InChIKeyUSJJYJBBDIOJBQ-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine?
The IUPAC name of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine (CID 170210005) is N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine is C=CCS(C)(C)N(C)C.
What is the InChIKey of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine?
The InChIKey is USJJYJBBDIOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6-7-9(4,5)8(2)3/h6H,1,7H2,2-5H3.
What are the key properties of N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine?
N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine has a molecular weight of 147.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(prop-2-enyl)-λ4-sulfanyl]-N-methylmethanamine is sourced from PubChem (CID 170210005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).