N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine

C15H22N2S — CID 116950660

IUPACN'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc2c(c1)CCCS2
InChIInChI=1S/C15H22N2S/c1-16-14(10-17-13-5-6-13)11-4-7-15-12(9-11)3-2-8-18-15/h4,7,9,13-14,16-17H,2-3,5-6,8,10H2,1H3
InChIKeyVWSGMLNVSJFROX-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.74
Rot. Bonds5

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

N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine (PubChem CID 116950660) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
PubChem CID116950660
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc2c(c1)CCCS2
InChIInChI=1S/C15H22N2S/c1-16-14(10-17-13-5-6-13)11-4-7-15-12(9-11)3-2-8-18-15/h4,7,9,13-14,16-17H,2-3,5-6,8,10H2,1H3
InChIKeyVWSGMLNVSJFROX-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine 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-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951094
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)ethanol
CID 168764081
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950593
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
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
3-chloro-2-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylpropan-1-amine
CID 168764149

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine (CID 116950660) is N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine is CNC(CNC1CC1)c1ccc2c(c1)CCCS2.
What is the InChIKey of N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine?
The InChIKey is VWSGMLNVSJFROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-16-14(10-17-13-5-6-13)11-4-7-15-12(9-11)3-2-8-18-15/h4,7,9,13-14,16-17H,2-3,5-6,8,10H2,1H3.
What are the key properties of N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine?
N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine has a molecular weight of 262.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).