3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol

C16H25NOS — CID 103787361

IUPAC3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCSc2ccccc21
InChIInChI=1S/C16H25NOS/c1-2-5-13(8-10-18)12-17-15-9-11-19-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,17-18H,2,5,8-12H2,1H3
InChIKeyCBWHJAKBSMVHDT-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.61
Rot. Bonds7

About 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol

3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol (PubChem CID 103787361) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
PubChem CID103787361
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCSc2ccccc21
InChIInChI=1S/C16H25NOS/c1-2-5-13(8-10-18)12-17-15-9-11-19-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,17-18H,2,5,8-12H2,1H3
InChIKeyCBWHJAKBSMVHDT-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol 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

N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)butan-2-ol
CID 71915910
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol (CID 103787361) is 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1CCSc2ccccc21.
What is the InChIKey of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol?
The InChIKey is CBWHJAKBSMVHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-5-13(8-10-18)12-17-15-9-11-19-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,17-18H,2,5,8-12H2,1H3.
What are the key properties of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol?
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 103787361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).