1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine

C14H22N2S — CID 116948767

IUPAC1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc2c(c1)CCCS2)C(C)CN
InChIInChI=1S/C14H22N2S/c1-10(9-15)14(16-2)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyDBZSJEOAEJGAFE-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.58
Rot. Bonds4

About 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine

1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 116948767) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
PubChem CID116948767
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc2c(c1)CCCS2)C(C)CN
InChIInChI=1S/C14H22N2S/c1-10(9-15)14(16-2)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyDBZSJEOAEJGAFE-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,4-diamine
CID 116934230
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
CID 116950660
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)butanoate
CID 116964438
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylbutan-2-amine
CID 168764108
2,3-diamino-3-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-ol
CID 116942431
3-amino-3-(3,4-dihydro-2H-thiochromen-6-yl)-2,2-dimethylpropanoic acid
CID 116937979
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine (CID 116948767) is 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine is CNC(c1ccc2c(c1)CCCS2)C(C)CN.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is DBZSJEOAEJGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(9-15)14(16-2)12-5-6-13-11(8-12)4-3-7-17-13/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine?
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).