N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide

C9H16N4O2S — CID 63564496

IUPACN-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-1-3-10-4-2-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13)
InChIKeyIMBGCVKNAFNRGX-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.15
Rot. Bonds4

About N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide

N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 63564496) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID63564496
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-1-3-10-4-2-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13)
InChIKeyIMBGCVKNAFNRGX-UHFFFAOYSA-N
XLogP0.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide (CID 63564496) is N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide is O=S(=O)(CC1CCNCC1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is IMBGCVKNAFNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-1-3-10-4-2-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide?
N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 63564496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).