bis(methylamino)-thiophen-3-ylmethanol

C7H12N2OS — CID 126493654

IUPACbis(methylamino)-thiophen-3-ylmethanol
SMILESCNC(O)(NC)c1ccsc1
InChIInChI=1S/C7H12N2OS/c1-8-7(10,9-2)6-3-4-11-5-6/h3-5,8-10H,1-2H3
InChIKeyXCXLTJRBEPFPMP-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.29
Rot. Bonds3

About bis(methylamino)-thiophen-3-ylmethanol

bis(methylamino)-thiophen-3-ylmethanol (PubChem CID 126493654) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is bis(methylamino)-thiophen-3-ylmethanol.

Molecular Properties

Compound Namebis(methylamino)-thiophen-3-ylmethanol
PubChem CID126493654
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Namebis(methylamino)-thiophen-3-ylmethanol
SMILESCNC(O)(NC)c1ccsc1
InChIInChI=1S/C7H12N2OS/c1-8-7(10,9-2)6-3-4-11-5-6/h3-5,8-10H,1-2H3
InChIKeyXCXLTJRBEPFPMP-UHFFFAOYSA-N
XLogP0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;2-thiophen-3-ylpropan-2-ol
CID 144659448
3-thiophen-3-ylpentan-3-ol
CID 65099780
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
3-[[3-hydroxy-3,3-di(thiophen-3-yl)propyl]amino]-1,1-di(thiophen-3-yl)propan-1-ol
CID 110182532
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
CID 127003873
3-(trifluoromethyl)thiophene
CID 2769441
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
3-thiophen-3-ylpent-1-en-3-ol
CID 130929664
2-methyl-3-thiophen-3-ylpent-1-en-3-ol
CID 131021089
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620

Frequently Asked Questions

What is the IUPAC name of bis(methylamino)-thiophen-3-ylmethanol?
The IUPAC name of bis(methylamino)-thiophen-3-ylmethanol (CID 126493654) is bis(methylamino)-thiophen-3-ylmethanol.
What is the SMILES notation for bis(methylamino)-thiophen-3-ylmethanol?
The canonical SMILES for bis(methylamino)-thiophen-3-ylmethanol is CNC(O)(NC)c1ccsc1.
What is the InChIKey of bis(methylamino)-thiophen-3-ylmethanol?
The InChIKey is XCXLTJRBEPFPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-8-7(10,9-2)6-3-4-11-5-6/h3-5,8-10H,1-2H3.
What are the key properties of bis(methylamino)-thiophen-3-ylmethanol?
bis(methylamino)-thiophen-3-ylmethanol has a molecular weight of 172.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylamino)-thiophen-3-ylmethanol is sourced from PubChem (CID 126493654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).