N-ethyl-N-propan-2-ylsulfanylethanamine

C7H17NS — CID 14689857

IUPACN-ethyl-N-propan-2-ylsulfanylethanamine
SMILESCCN(CC)SC(C)C
InChIInChI=1S/C7H17NS/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3
InChIKeyHYKBMHWMCFRGCC-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-N-propan-2-ylsulfanylethanamine

N-ethyl-N-propan-2-ylsulfanylethanamine (PubChem CID 14689857) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylsulfanylethanamine
PubChem CID14689857
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-N-propan-2-ylsulfanylethanamine
SMILESCCN(CC)SC(C)C
InChIInChI=1S/C7H17NS/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3
InChIKeyHYKBMHWMCFRGCC-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.38
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-propan-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-N-propan-2-ylsulfanylethanamine (CID 14689857) is N-ethyl-N-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-N-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-N-propan-2-ylsulfanylethanamine is CCN(CC)SC(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylsulfanylethanamine?
The InChIKey is HYKBMHWMCFRGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N-propan-2-ylsulfanylethanamine?
N-ethyl-N-propan-2-ylsulfanylethanamine has a molecular weight of 147.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 14689857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).