4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine

C12H19N3S — CID 106751216

IUPAC4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine
SMILESCC1(C)CN(c2ccc(N)c(N)c2)CCS1
InChIInChI=1S/C12H19N3S/c1-12(2)8-15(5-6-16-12)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8,13-14H2,1-2H3
InChIKeyMVSZFEFUOYXYPK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.18
Rot. Bonds1

About 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine

4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine (PubChem CID 106751216) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine
PubChem CID106751216
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine
SMILESCC1(C)CN(c2ccc(N)c(N)c2)CCS1
InChIInChI=1S/C12H19N3S/c1-12(2)8-15(5-6-16-12)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8,13-14H2,1-2H3
InChIKeyMVSZFEFUOYXYPK-UHFFFAOYSA-N
XLogP2.18
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
CID 114408099
methyl 2-amino-5-(7,7-dimethyl-1,4-thiazepan-4-yl)benzoate
CID 107458200
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-methoxyaniline
CID 107453075
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-methylaniline
CID 107453067
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
CID 106750970
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
4-(3-bromo-5-methyl-2-pyridinyl)-2,2-dimethylthiomorpholine
CID 105368103
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methanamine
CID 107453189
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine?
The IUPAC name of 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine (CID 106751216) is 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine is CC1(C)CN(c2ccc(N)c(N)c2)CCS1.
What is the InChIKey of 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine?
The InChIKey is MVSZFEFUOYXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-12(2)8-15(5-6-16-12)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8,13-14H2,1-2H3.
What are the key properties of 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine?
4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylthiomorpholin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 106751216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).