(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol

C9H15NOS — CID 131128260

IUPAC(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol
SMILESCc1ccc([C@](C)(N)CCO)s1
InChIInChI=1S/C9H15NOS/c1-7-3-4-8(12-7)9(2,10)5-6-11/h3-4,11H,5-6,10H2,1-2H3/t9-/m1/s1
InChIKeyUFHRMHJLLGHQKC-SECBINFHSA-N
MW185.29 g/mol
LogP1.61
Rot. Bonds3

About (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol

(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol (PubChem CID 131128260) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol
PubChem CID131128260
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol
SMILESCc1ccc([C@](C)(N)CCO)s1
InChIInChI=1S/C9H15NOS/c1-7-3-4-8(12-7)9(2,10)5-6-11/h3-4,11H,5-6,10H2,1-2H3/t9-/m1/s1
InChIKeyUFHRMHJLLGHQKC-SECBINFHSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol (CID 131128260) is (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol is Cc1ccc([C@](C)(N)CCO)s1.
What is the InChIKey of (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol?
The InChIKey is UFHRMHJLLGHQKC-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-3-4-8(12-7)9(2,10)5-6-11/h3-4,11H,5-6,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol?
(3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 131128260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).