4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol

C10H16ClNOS — CID 102976600

IUPAC4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1csc(Cl)c1
InChIInChI=1S/C10H16ClNOS/c1-7(13)3-4-12-8(2)9-5-10(11)14-6-9/h5-8,12-13H,3-4H2,1-2H3
InChIKeyKPBFRIFHTGWHQE-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.82
Rot. Bonds5

About 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol

4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol (PubChem CID 102976600) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
PubChem CID102976600
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1csc(Cl)c1
InChIInChI=1S/C10H16ClNOS/c1-7(13)3-4-12-8(2)9-5-10(11)14-6-9/h5-8,12-13H,3-4H2,1-2H3
InChIKeyKPBFRIFHTGWHQE-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
CID 102976419
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102976967
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol (CID 102976600) is 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol is CC(O)CCNC(C)c1csc(Cl)c1.
What is the InChIKey of 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol?
The InChIKey is KPBFRIFHTGWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-7(13)3-4-12-8(2)9-5-10(11)14-6-9/h5-8,12-13H,3-4H2,1-2H3.
What are the key properties of 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol?
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol has a molecular weight of 233.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 102976600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).