(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol

C9H14ClNOS — CID 102148993

IUPAC(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol
SMILESC[C@](N)(CO)CCc1sccc1Cl
InChIInChI=1S/C9H14ClNOS/c1-9(11,6-12)4-2-8-7(10)3-5-13-8/h3,5,12H,2,4,6,11H2,1H3/t9-/m1/s1
InChIKeyZAIPXAIGQUQGFU-SECBINFHSA-N
MW219.74 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol

(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol (PubChem CID 102148993) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol
PubChem CID102148993
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol
SMILESC[C@](N)(CO)CCc1sccc1Cl
InChIInChI=1S/C9H14ClNOS/c1-9(11,6-12)4-2-8-7(10)3-5-13-8/h3,5,12H,2,4,6,11H2,1H3/t9-/m1/s1
InChIKeyZAIPXAIGQUQGFU-SECBINFHSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The IUPAC name of (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol (CID 102148993) is (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol is C[C@](N)(CO)CCc1sccc1Cl.
What is the InChIKey of (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The InChIKey is ZAIPXAIGQUQGFU-SECBINFHSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-9(11,6-12)4-2-8-7(10)3-5-13-8/h3,5,12H,2,4,6,11H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol?
(2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol has a molecular weight of 219.74 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(3-chlorothiophen-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 102148993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).