3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol

C16H19NOS2 — CID 111629595

IUPAC3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESOC1(CNCc2ccc(-c3ccccc3)s2)CCSC1
InChIInChI=1S/C16H19NOS2/c18-16(8-9-19-12-16)11-17-10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,17-18H,8-12H2
InChIKeyJSXSVYQOSWOSBM-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.37
Rot. Bonds5

About 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol

3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol (PubChem CID 111629595) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
PubChem CID111629595
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESOC1(CNCc2ccc(-c3ccccc3)s2)CCSC1
InChIInChI=1S/C16H19NOS2/c18-16(8-9-19-12-16)11-17-10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,17-18H,8-12H2
InChIKeyJSXSVYQOSWOSBM-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]methyl]thian-4-ol
CID 111436631
3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 115702721
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 99833176
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
CID 111629685
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 75518592
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
3-N-[(5-phenylthiophen-2-yl)methyl]benzene-1,3-diamine
CID 91804343
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 43222784
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol (CID 111629595) is 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol is OC1(CNCc2ccc(-c3ccccc3)s2)CCSC1.
What is the InChIKey of 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The InChIKey is JSXSVYQOSWOSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c18-16(8-9-19-12-16)11-17-10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,17-18H,8-12H2.
What are the key properties of 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol?
3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol has a molecular weight of 305.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 111629595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).