2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

C11H22N2S — CID 106325268

IUPAC2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESC=C(CC)CNCCN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-3-11(2)10-12-4-5-13-6-8-14-9-7-13/h12H,2-10H2,1H3
InChIKeyKXFIHTVSQCOTOJ-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds6

About 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (PubChem CID 106325268) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
PubChem CID106325268
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESC=C(CC)CNCCN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-3-11(2)10-12-4-5-13-6-8-14-9-7-13/h12H,2-10H2,1H3
InChIKeyKXFIHTVSQCOTOJ-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Methyl-3-methylsulfanylprop-2-enyl)piperazine
CID 123637088
1-(2,3-Dihydrothiophen-4-ylmethyl)piperazine
CID 141820138
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
CID 66421328
N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 82915654
N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069163
N-ethyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069165
N-propyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069168
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
CID 103070738
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070740
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070743
N-methyl-2-[(2-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103071301

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (CID 106325268) is 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is C=C(CC)CNCCN1CCSCC1.
What is the InChIKey of 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The InChIKey is KXFIHTVSQCOTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-11(2)10-12-4-5-13-6-8-14-9-7-13/h12H,2-10H2,1H3.
What are the key properties of 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 106325268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).