[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol

C13H22N2O3S2 — CID 102750121

IUPAC[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H22N2O3S2/c1-10-9-19-12(8-16)13(10)20(17,18)15-6-4-5-11(7-15)14(2)3/h9,11,16H,4-8H2,1-3H3
InChIKeyNGLGIVUUXWDZLW-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.26
Rot. Bonds4

About [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol

[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol (PubChem CID 102750121) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
PubChem CID102750121
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H22N2O3S2/c1-10-9-19-12(8-16)13(10)20(17,18)15-6-4-5-11(7-15)14(2)3/h9,11,16H,4-8H2,1-3H3
InChIKeyNGLGIVUUXWDZLW-UHFFFAOYSA-N
XLogP1.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 102753667
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanol
CID 102750103
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419
[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749931
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749830
[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102750119
1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 102753677
[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102749710
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749832
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine
CID 167966613
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The IUPAC name of [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol (CID 102750121) is [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The InChIKey is NGLGIVUUXWDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-9-19-12(8-16)13(10)20(17,18)15-6-4-5-11(7-15)14(2)3/h9,11,16H,4-8H2,1-3H3.
What are the key properties of [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol has a molecular weight of 318.46 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102750121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).