(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol

C11H18ClNOS — CID 103778502

IUPAC(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(Cl)s1)N[C@H](C)CO
InChIInChI=1S/C11H18ClNOS/c1-8(13-9(2)7-14)3-4-10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLGMUPGJFUNSNNA-YGPZHTELSA-N
MW247.79 g/mol
LogP2.69
Rot. Bonds6

About (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol

(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol (PubChem CID 103778502) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
PubChem CID103778502
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(Cl)s1)N[C@H](C)CO
InChIInChI=1S/C11H18ClNOS/c1-8(13-9(2)7-14)3-4-10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLGMUPGJFUNSNNA-YGPZHTELSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol?
The IUPAC name of (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol (CID 103778502) is (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol is CC(CCc1ccc(Cl)s1)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol?
The InChIKey is LGMUPGJFUNSNNA-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-8(13-9(2)7-14)3-4-10-5-6-11(12)15-10/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol?
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103778502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).