3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine

C14H20N2OS — CID 116941188

IUPAC3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCS2)C1COCCN1
InChIInChI=1S/C14H20N2OS/c15-14(12-9-17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-4,8,12,14,16H,1-2,5-7,9,15H2
InChIKeyNUTBVZNCUYNFFD-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.71
Rot. Bonds2

About 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine

3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine (PubChem CID 116941188) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine
PubChem CID116941188
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCS2)C1COCCN1
InChIInChI=1S/C14H20N2OS/c15-14(12-9-17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-4,8,12,14,16H,1-2,5-7,9,15H2
InChIKeyNUTBVZNCUYNFFD-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine 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

3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974
morpholin-3-yl(naphthalen-2-yl)methanamine
CID 116941220
(4-chlorophenyl)-morpholin-3-ylmethanamine
CID 116941105
5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116941178
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanamine
CID 116941120
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
2,3-diamino-3-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-ol
CID 116942431
6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116941185
N'-cyclopropyl-1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylethane-1,2-diamine
CID 116950660
[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
CID 116943281
1-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,4-diamine
CID 116934230
3-amino-3-(3,4-dihydro-2H-thiochromen-6-yl)-2,2-dimethylpropanoic acid
CID 116937979

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine (CID 116941188) is 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine is NC(c1ccc2c(c1)CCCS2)C1COCCN1.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine?
The InChIKey is NUTBVZNCUYNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-14(12-9-17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-4,8,12,14,16H,1-2,5-7,9,15H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine?
3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine has a molecular weight of 264.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine is sourced from PubChem (CID 116941188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).