N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide

C10H19N3O2S — CID 54368149

IUPACN-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N(C)Cc1cnc[nH]1
InChIInChI=1S/C10H19N3O2S/c1-8(2)9(3)16(14,15)13(4)6-10-5-11-7-12-10/h5,7-9H,6H2,1-4H3,(H,11,12)
InChIKeyURFQDXISZYLFQN-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.22
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide

N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide (PubChem CID 54368149) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide
PubChem CID54368149
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N(C)Cc1cnc[nH]1
InChIInChI=1S/C10H19N3O2S/c1-8(2)9(3)16(14,15)13(4)6-10-5-11-7-12-10/h5,7-9H,6H2,1-4H3,(H,11,12)
InChIKeyURFQDXISZYLFQN-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide (CID 54368149) is N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide is CC(C)C(C)S(=O)(=O)N(C)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide?
The InChIKey is URFQDXISZYLFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)9(3)16(14,15)13(4)6-10-5-11-7-12-10/h5,7-9H,6H2,1-4H3,(H,11,12).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide?
N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutane-2-sulfonamide is sourced from PubChem (CID 54368149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).