[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol

C14H19NOS — CID 116943281

IUPAC[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
SMILESNC(c1ccc2c(c1)CCCS2)C1(CO)CC1
InChIInChI=1S/C14H19NOS/c15-13(14(9-16)5-6-14)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13,16H,1-2,5-7,9,15H2
InChIKeyOHGOERGKECITDX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.50
Rot. Bonds3

About [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol

[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol (PubChem CID 116943281) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
PubChem CID116943281
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
SMILESNC(c1ccc2c(c1)CCCS2)C1(CO)CC1
InChIInChI=1S/C14H19NOS/c15-13(14(9-16)5-6-14)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13,16H,1-2,5-7,9,15H2
InChIKeyOHGOERGKECITDX-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol 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

2,3-diamino-3-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-ol
CID 116942431
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166
5-amino-5-(3,4-dihydro-2H-thiochromen-6-yl)pentanoic acid
CID 116937871
3-amino-3-(3,4-dihydro-2H-thiochromen-6-yl)-2,2-dimethylpropanoic acid
CID 116937979
[1-(3,4-dihydro-2H-thiochromen-6-ylmethyl)cyclopropyl]methanol
CID 116928916
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
1-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,4-diamine
CID 116934230
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)butanoate
CID 116964438
2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116849848
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
2-amino-3-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)propan-1-ol
CID 115120610
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043

Frequently Asked Questions

What is the IUPAC name of [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol (CID 116943281) is [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol is NC(c1ccc2c(c1)CCCS2)C1(CO)CC1.
What is the InChIKey of [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol?
The InChIKey is OHGOERGKECITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c15-13(14(9-16)5-6-14)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13,16H,1-2,5-7,9,15H2.
What are the key properties of [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol?
[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol has a molecular weight of 249.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116943281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).