(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol

C7H12N2OS — CID 130885597

IUPAC(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol
SMILESNc1ccsc1[C@H](N)CCO
InChIInChI=1S/C7H12N2OS/c8-5(1-3-10)7-6(9)2-4-11-7/h2,4-5,10H,1,3,8-9H2/t5-/m1/s1
InChIKeyYCLVGWVAUODDKP-RXMQYKEDSA-N
MW172.25 g/mol
LogP0.71
Rot. Bonds3

About (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol

(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol (PubChem CID 130885597) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol
PubChem CID130885597
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol
SMILESNc1ccsc1[C@H](N)CCO
InChIInChI=1S/C7H12N2OS/c8-5(1-3-10)7-6(9)2-4-11-7/h2,4-5,10H,1,3,8-9H2/t5-/m1/s1
InChIKeyYCLVGWVAUODDKP-RXMQYKEDSA-N
XLogP0.71
TPSA72.27 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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-amino-3-hydroxypropyl]thiophen-3-ol
CID 131146182
3-amino-3-(2-chlorothiophen-3-yl)propan-1-ol
CID 55295934
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
2-[1-(3-aminothiophen-2-yl)propyl]thiophen-3-amine
CID 10823868
1-(3-aminothiophen-2-yl)ethylboronic acid;hydrochloride
CID 70120631
3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
CID 170875139
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
CID 10521252
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
CID 107361723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol (CID 130885597) is (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol is Nc1ccsc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol?
The InChIKey is YCLVGWVAUODDKP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N2OS/c8-5(1-3-10)7-6(9)2-4-11-7/h2,4-5,10H,1,3,8-9H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol?
(3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-aminothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130885597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).