N-ethyl-N-propylsulfanylethanamine

C7H17NS — CID 13142419

IUPACN-ethyl-N-propylsulfanylethanamine
SMILESCCCSN(CC)CC
InChIInChI=1S/C7H17NS/c1-4-7-9-8(5-2)6-3/h4-7H2,1-3H3
InChIKeyQVCWDEZASDKSFZ-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.39
Rot. Bonds5

About N-ethyl-N-propylsulfanylethanamine

N-ethyl-N-propylsulfanylethanamine (PubChem CID 13142419) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-ethyl-N-propylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-propylsulfanylethanamine
PubChem CID13142419
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-N-propylsulfanylethanamine
SMILESCCCSN(CC)CC
InChIInChI=1S/C7H17NS/c1-4-7-9-8(5-2)6-3/h4-7H2,1-3H3
InChIKeyQVCWDEZASDKSFZ-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.39
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-ethyl-N-propylsulfanylethanamine?
The IUPAC name of N-ethyl-N-propylsulfanylethanamine (CID 13142419) is N-ethyl-N-propylsulfanylethanamine.
What is the SMILES notation for N-ethyl-N-propylsulfanylethanamine?
The canonical SMILES for N-ethyl-N-propylsulfanylethanamine is CCCSN(CC)CC.
What is the InChIKey of N-ethyl-N-propylsulfanylethanamine?
The InChIKey is QVCWDEZASDKSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-7-9-8(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of N-ethyl-N-propylsulfanylethanamine?
N-ethyl-N-propylsulfanylethanamine has a molecular weight of 147.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylsulfanylethanamine is sourced from PubChem (CID 13142419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).