(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride

C9H15Cl2NOS — CID 171246493

IUPAC(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H14ClNOS.ClH/c1-9(2,5-12)8(11)6-3-4-7(10)13-6;/h3-4,8,12H,5,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyCNUUEWUMUHTPCR-QRPNPIFTSA-N
MW256.20 g/mol
LogP2.84
Rot. Bonds3

About (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride

(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (PubChem CID 171246493) has the molecular formula C9H15Cl2NOS and a molecular weight of 256.20 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
PubChem CID171246493
Molecular FormulaC9H15Cl2NOS
Molecular Weight256.20 g/mol
Exact Mass255.03
IUPAC Name(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H14ClNOS.ClH/c1-9(2,5-12)8(11)6-3-4-7(10)13-6;/h3-4,8,12H,5,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyCNUUEWUMUHTPCR-QRPNPIFTSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 130708717
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(3R)-3-amino-3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245495
(3S)-3-amino-2,2-dimethyl-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171243899
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (CID 171246493) is (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride is CC(C)(CO)[C@@H](N)c1ccc(Cl)s1.Cl.
What is the InChIKey of (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The InChIKey is CNUUEWUMUHTPCR-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14ClNOS.ClH/c1-9(2,5-12)8(11)6-3-4-7(10)13-6;/h3-4,8,12H,5,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride has a molecular weight of 256.20 g/mol, XLogP of 2.84, 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-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171246493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).