4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol

C9H14ClNOS — CID 83934932

IUPAC4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
SMILESCC(N)C(O)CCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,12H,2,4,11H2,1H3
InChIKeyNIUOQHWTNREVAS-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol

4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol (PubChem CID 83934932) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
PubChem CID83934932
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
SMILESCC(N)C(O)CCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,12H,2,4,11H2,1H3
InChIKeyNIUOQHWTNREVAS-UHFFFAOYSA-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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Related Compounds

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CID 64665033
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263
2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
CID 112518605

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol?
The IUPAC name of 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol (CID 83934932) is 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol is CC(N)C(O)CCc1ccc(Cl)s1.
What is the InChIKey of 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol?
The InChIKey is NIUOQHWTNREVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,12H,2,4,11H2,1H3.
What are the key properties of 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol?
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-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 4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol is sourced from PubChem (CID 83934932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).