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

C14H19NO2S — CID 84595637

IUPAC3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2CCSc3ccccc32)CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(6-7-17-10-14)9-15-12-5-8-18-13-4-2-1-3-11(12)13/h1-4,12,15-16H,5-10H2
InChIKeyPWWOPMHLPUYEJZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.96
Rot. Bonds3

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

3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol (PubChem CID 84595637) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
PubChem CID84595637
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2CCSc3ccccc32)CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(6-7-17-10-14)9-15-12-5-8-18-13-4-2-1-3-11(12)13/h1-4,12,15-16H,5-10H2
InChIKeyPWWOPMHLPUYEJZ-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
CID 106099993
3-[[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]methyl]oxolan-3-ol
CID 106099982
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105744
3-[[(2-phenylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904822
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54907300
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol (CID 84595637) is 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol is OC1(CNC2CCSc3ccccc32)CCOC1.
What is the InChIKey of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol?
The InChIKey is PWWOPMHLPUYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(6-7-17-10-14)9-15-12-5-8-18-13-4-2-1-3-11(12)13/h1-4,12,15-16H,5-10H2.
What are the key properties of 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol?
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol has a molecular weight of 265.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 84595637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).