2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol

C8H14N2OS — CID 116942474

IUPAC2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(N)C(N)CO
InChIInChI=1S/C8H14N2OS/c1-5-2-3-12-8(5)7(10)6(9)4-11/h2-3,6-7,11H,4,9-10H2,1H3
InChIKeyZMIJVPIIBQEIIA-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.38
Rot. Bonds3

About 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol

2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 116942474) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID116942474
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(N)C(N)CO
InChIInChI=1S/C8H14N2OS/c1-5-2-3-12-8(5)7(10)6(9)4-11/h2-3,6-7,11H,4,9-10H2,1H3
InChIKeyZMIJVPIIBQEIIA-UHFFFAOYSA-N
XLogP0.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol (CID 116942474) is 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(N)C(N)CO.
What is the InChIKey of 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is ZMIJVPIIBQEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5-2-3-12-8(5)7(10)6(9)4-11/h2-3,6-7,11H,4,9-10H2,1H3.
What are the key properties of 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol?
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 116942474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).