(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol

C9H14ClNOS — CID 130674240

IUPAC(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)[C@H](N)c1sccc1Cl
InChIInChI=1S/C9H14ClNOS/c1-5(2)8(12)7(11)9-6(10)3-4-13-9/h3-5,7-8,12H,11H2,1-2H3/t7-,8-/m0/s1
InChIKeyFORSCSAYKFSOBK-YUMQZZPRSA-N
MW219.74 g/mol
LogP2.42
Rot. Bonds3

About (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol

(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol (PubChem CID 130674240) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
PubChem CID130674240
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)[C@H](N)c1sccc1Cl
InChIInChI=1S/C9H14ClNOS/c1-5(2)8(12)7(11)9-6(10)3-4-13-9/h3-5,7-8,12H,11H2,1-2H3/t7-,8-/m0/s1
InChIKeyFORSCSAYKFSOBK-YUMQZZPRSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 107360210
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
1-(3-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-ol
CID 104521238

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol (CID 130674240) is (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol is CC(C)[C@H](O)[C@H](N)c1sccc1Cl.
What is the InChIKey of (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol?
The InChIKey is FORSCSAYKFSOBK-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-5(2)8(12)7(11)9-6(10)3-4-13-9/h3-5,7-8,12H,11H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol?
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol has a molecular weight of 219.74 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 130674240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).