3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone

C14H17N3O3S — CID 90586479

IUPAC3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)16-9-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,15,16)
InChIKeyWXRBRKZADFELQX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.21
Rot. Bonds2

About 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone

3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 90586479) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID90586479
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)16-9-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,15,16)
InChIKeyWXRBRKZADFELQX-UHFFFAOYSA-N
XLogP1.21
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590552
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672466
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone (CID 90586479) is 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is WXRBRKZADFELQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(19,20)11-4-6-17(7-5-11)14(18)10-2-3-12-13(8-10)16-9-15-12/h2-3,8-9,11H,4-7H2,1H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone?
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 90586479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).