[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol

C12H19N3O3S2 — CID 103349210

IUPAC[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-4-5-9)12(19-14-11)15-6-2-1-3-8(15)7-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeyYBPMXMKJSLWMIN-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.01
Rot. Bonds4

About [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol

[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol (PubChem CID 103349210) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
PubChem CID103349210
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-4-5-9)12(19-14-11)15-6-2-1-3-8(15)7-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeyYBPMXMKJSLWMIN-UHFFFAOYSA-N
XLogP1.01
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103361589
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382138
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103349793
4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349359
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103384791

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol (CID 103349210) is [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol is Nc1nsc(N2CCCCC2CO)c1S(=O)(=O)C1CC1.
What is the InChIKey of [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The InChIKey is YBPMXMKJSLWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c13-11-10(20(17,18)9-4-5-9)12(19-14-11)15-6-2-1-3-8(15)7-16/h8-9,16H,1-7H2,(H2,13,14).
What are the key properties of [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol has a molecular weight of 317.44 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 103349210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).