1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide

C10H17N5O2S — CID 107162798

IUPAC1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C10H17N5O2S/c1-10(9(11)12)2-4-15(5-3-10)18(16,17)8-6-13-7-14-8/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,14)
InChIKeyJQXXKSIDGQWWKC-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.14
Rot. Bonds3

About 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide (PubChem CID 107162798) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide
PubChem CID107162798
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C10H17N5O2S/c1-10(9(11)12)2-4-15(5-3-10)18(16,17)8-6-13-7-14-8/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,14)
InChIKeyJQXXKSIDGQWWKC-UHFFFAOYSA-N
XLogP0.14
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide (CID 107162798) is 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is JQXXKSIDGQWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-10(9(11)12)2-4-15(5-3-10)18(16,17)8-6-13-7-14-8/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,14).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide?
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 271.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).