N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine

C7H19NOS — CID 135301519

IUPACN-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine
SMILESCNCC(C)S(C)(C)(C)=O
InChIInChI=1S/C7H19NOS/c1-7(6-8-2)10(3,4,5)9/h7-8H,6H2,1-5H3
InChIKeyVDQBHBWBKBDQEW-UHFFFAOYSA-N
MW165.30 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine

N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine (PubChem CID 135301519) has the molecular formula C7H19NOS and a molecular weight of 165.30 g/mol. Its IUPAC name is N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine
PubChem CID135301519
Molecular FormulaC7H19NOS
Molecular Weight165.30 g/mol
Exact Mass165.12
IUPAC NameN-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine
SMILESCNCC(C)S(C)(C)(C)=O
InChIInChI=1S/C7H19NOS/c1-7(6-8-2)10(3,4,5)9/h7-8H,6H2,1-5H3
InChIKeyVDQBHBWBKBDQEW-UHFFFAOYSA-N
XLogP0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine?
The IUPAC name of N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine (CID 135301519) is N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine is CNCC(C)S(C)(C)(C)=O.
What is the InChIKey of N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine?
The InChIKey is VDQBHBWBKBDQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NOS/c1-7(6-8-2)10(3,4,5)9/h7-8H,6H2,1-5H3.
What are the key properties of N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine?
N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine has a molecular weight of 165.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[trimethyl(oxo)-λ6-sulfanyl]propan-1-amine is sourced from PubChem (CID 135301519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).