N-ethylsulfanyl-N-propylpropan-1-amine

C8H19NS — CID 14693713

IUPACN-ethylsulfanyl-N-propylpropan-1-amine
SMILESCCCN(CCC)SCC
InChIInChI=1S/C8H19NS/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3
InChIKeyKSVMCXQANYNBCO-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.78
Rot. Bonds6

About N-ethylsulfanyl-N-propylpropan-1-amine

N-ethylsulfanyl-N-propylpropan-1-amine (PubChem CID 14693713) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethylsulfanyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-N-propylpropan-1-amine
PubChem CID14693713
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethylsulfanyl-N-propylpropan-1-amine
SMILESCCCN(CCC)SCC
InChIInChI=1S/C8H19NS/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3
InChIKeyKSVMCXQANYNBCO-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-N-propylpropan-1-amine?
The IUPAC name of N-ethylsulfanyl-N-propylpropan-1-amine (CID 14693713) is N-ethylsulfanyl-N-propylpropan-1-amine.
What is the SMILES notation for N-ethylsulfanyl-N-propylpropan-1-amine?
The canonical SMILES for N-ethylsulfanyl-N-propylpropan-1-amine is CCCN(CCC)SCC.
What is the InChIKey of N-ethylsulfanyl-N-propylpropan-1-amine?
The InChIKey is KSVMCXQANYNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3.
What are the key properties of N-ethylsulfanyl-N-propylpropan-1-amine?
N-ethylsulfanyl-N-propylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-N-propylpropan-1-amine is sourced from PubChem (CID 14693713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).