N-ethylsulfanyl-N-methylpropan-2-amine

C6H15NS — CID 123397919

IUPACN-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSN(C)C(C)C
InChIInChI=1S/C6H15NS/c1-5-8-7(4)6(2)3/h6H,5H2,1-4H3
InChIKeyCUTKDUDMIODLQB-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.99
Rot. Bonds3

About N-ethylsulfanyl-N-methylpropan-2-amine

N-ethylsulfanyl-N-methylpropan-2-amine (PubChem CID 123397919) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-ethylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-N-methylpropan-2-amine
PubChem CID123397919
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSN(C)C(C)C
InChIInChI=1S/C6H15NS/c1-5-8-7(4)6(2)3/h6H,5H2,1-4H3
InChIKeyCUTKDUDMIODLQB-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.99
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-methylpropan-2-amine?
The IUPAC name of N-ethylsulfanyl-N-methylpropan-2-amine (CID 123397919) is N-ethylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for N-ethylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for N-ethylsulfanyl-N-methylpropan-2-amine is CCSN(C)C(C)C.
What is the InChIKey of N-ethylsulfanyl-N-methylpropan-2-amine?
The InChIKey is CUTKDUDMIODLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5-8-7(4)6(2)3/h6H,5H2,1-4H3.
What are the key properties of N-ethylsulfanyl-N-methylpropan-2-amine?
N-ethylsulfanyl-N-methylpropan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 123397919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).