N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine

C8H17NS — CID 139381123

IUPACN-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESC=CN(C)CCSC(C)C
InChIInChI=1S/C8H17NS/c1-5-9(4)6-7-10-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyFPSMKAPQADXFRI-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds5

About N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine

N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine (PubChem CID 139381123) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine
PubChem CID139381123
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESC=CN(C)CCSC(C)C
InChIInChI=1S/C8H17NS/c1-5-9(4)6-7-10-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyFPSMKAPQADXFRI-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine (CID 139381123) is N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine is C=CN(C)CCSC(C)C.
What is the InChIKey of N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is FPSMKAPQADXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-9(4)6-7-10-8(2)3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine?
N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 139381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).