N-ethylsulfanyl-N-methylbutan-1-amine

C7H17NS — CID 142224348

IUPACN-ethylsulfanyl-N-methylbutan-1-amine
SMILESCCCCN(C)SCC
InChIInChI=1S/C7H17NS/c1-4-6-7-8(3)9-5-2/h4-7H2,1-3H3
InChIKeyKDVDXLFTYQSZCR-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.39
Rot. Bonds5

About N-ethylsulfanyl-N-methylbutan-1-amine

N-ethylsulfanyl-N-methylbutan-1-amine (PubChem CID 142224348) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-ethylsulfanyl-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-N-methylbutan-1-amine
PubChem CID142224348
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-ethylsulfanyl-N-methylbutan-1-amine
SMILESCCCCN(C)SCC
InChIInChI=1S/C7H17NS/c1-4-6-7-8(3)9-5-2/h4-7H2,1-3H3
InChIKeyKDVDXLFTYQSZCR-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-ethylsulfanyl-N-methylbutan-1-amine?
The IUPAC name of N-ethylsulfanyl-N-methylbutan-1-amine (CID 142224348) is N-ethylsulfanyl-N-methylbutan-1-amine.
What is the SMILES notation for N-ethylsulfanyl-N-methylbutan-1-amine?
The canonical SMILES for N-ethylsulfanyl-N-methylbutan-1-amine is CCCCN(C)SCC.
What is the InChIKey of N-ethylsulfanyl-N-methylbutan-1-amine?
The InChIKey is KDVDXLFTYQSZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-6-7-8(3)9-5-2/h4-7H2,1-3H3.
What are the key properties of N-ethylsulfanyl-N-methylbutan-1-amine?
N-ethylsulfanyl-N-methylbutan-1-amine 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-ethylsulfanyl-N-methylbutan-1-amine is sourced from PubChem (CID 142224348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).