2,4-diamino-1-thiophen-3-ylbutan-1-ol

C8H14N2OS — CID 83927672

IUPAC2,4-diamino-1-thiophen-3-ylbutan-1-ol
SMILESNCCC(N)C(O)c1ccsc1
InChIInChI=1S/C8H14N2OS/c9-3-1-7(10)8(11)6-2-4-12-5-6/h2,4-5,7-8,11H,1,3,9-10H2
InChIKeyIUDGAKYSGHSYHY-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.46
Rot. Bonds4

About 2,4-diamino-1-thiophen-3-ylbutan-1-ol

2,4-diamino-1-thiophen-3-ylbutan-1-ol (PubChem CID 83927672) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2,4-diamino-1-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-thiophen-3-ylbutan-1-ol
PubChem CID83927672
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2,4-diamino-1-thiophen-3-ylbutan-1-ol
SMILESNCCC(N)C(O)c1ccsc1
InChIInChI=1S/C8H14N2OS/c9-3-1-7(10)8(11)6-2-4-12-5-6/h2,4-5,7-8,11H,1,3,9-10H2
InChIKeyIUDGAKYSGHSYHY-UHFFFAOYSA-N
XLogP0.46
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
CID 83927676
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
CID 134307108
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
4-thiophen-3-ylpentan-1-amine
CID 83927705
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-thiophen-3-ylbutan-1-ol?
The IUPAC name of 2,4-diamino-1-thiophen-3-ylbutan-1-ol (CID 83927672) is 2,4-diamino-1-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 2,4-diamino-1-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 2,4-diamino-1-thiophen-3-ylbutan-1-ol is NCCC(N)C(O)c1ccsc1.
What is the InChIKey of 2,4-diamino-1-thiophen-3-ylbutan-1-ol?
The InChIKey is IUDGAKYSGHSYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c9-3-1-7(10)8(11)6-2-4-12-5-6/h2,4-5,7-8,11H,1,3,9-10H2.
What are the key properties of 2,4-diamino-1-thiophen-3-ylbutan-1-ol?
2,4-diamino-1-thiophen-3-ylbutan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-thiophen-3-ylbutan-1-ol is sourced from PubChem (CID 83927672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).