1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol

C12H20ClNOS — CID 79064420

IUPAC1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(Cl)s1)N(C)C
InChIInChI=1S/C12H20ClNOS/c1-5-12(2,14(3)4)10(15)8-9-6-7-11(13)16-9/h6-7,10,15H,5,8H2,1-4H3
InChIKeyMCEJBOIVMWDQOX-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.04
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol

1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 79064420) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID79064420
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccc(Cl)s1)N(C)C
InChIInChI=1S/C12H20ClNOS/c1-5-12(2,14(3)4)10(15)8-9-6-7-11(13)16-9/h6-7,10,15H,5,8H2,1-4H3
InChIKeyMCEJBOIVMWDQOX-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063462
3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
CID 79062969
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(1,3-benzothiazol-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79818294
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 79064420) is 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1ccc(Cl)s1)N(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is MCEJBOIVMWDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-5-12(2,14(3)4)10(15)8-9-6-7-11(13)16-9/h6-7,10,15H,5,8H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 261.82 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 79064420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).