N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine

C8H21NS — CID 164554404

IUPACN-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
SMILESCCN(C(C)C)S(C)(C)C
InChIInChI=1S/C8H21NS/c1-7-9(8(2)3)10(4,5)6/h8H,7H2,1-6H3
InChIKeyMHMOVSDEUNEFMC-UHFFFAOYSA-N
MW163.33 g/mol
LogP2.33
Rot. Bonds3

About N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine

N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine (PubChem CID 164554404) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
PubChem CID164554404
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC NameN-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
SMILESCCN(C(C)C)S(C)(C)C
InChIInChI=1S/C8H21NS/c1-7-9(8(2)3)10(4,5)6/h8H,7H2,1-6H3
InChIKeyMHMOVSDEUNEFMC-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine?
The IUPAC name of N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine (CID 164554404) is N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine.
What is the SMILES notation for N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine?
The canonical SMILES for N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine is CCN(C(C)C)S(C)(C)C.
What is the InChIKey of N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine?
The InChIKey is MHMOVSDEUNEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NS/c1-7-9(8(2)3)10(4,5)6/h8H,7H2,1-6H3.
What are the key properties of N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine?
N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine has a molecular weight of 163.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine is sourced from PubChem (CID 164554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).