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

C9H16N4O2S — CID 63564686

IUPACN-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13)
InChIKeyXOKNCVWHVUKEIW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.29
Rot. Bonds4

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

N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 63564686) 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-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID63564686
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13)
InChIKeyXOKNCVWHVUKEIW-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
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-2-ylmethanesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide (CID 63564686) is N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is XOKNCVWHVUKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c14-16(15,13-9-11-5-6-12-9)7-8-3-1-2-4-10-8/h5-6,8,10H,1-4,7H2,(H2,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1H-imidazol-2-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.29, 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-2-ylmethanesulfonamide is sourced from PubChem (CID 63564686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).