3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide

C17H24N4O2S — CID 154785827

IUPAC3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(Cn3ccnc3)C2)cc1N(C)C
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-16(10-17(13)20(2)3)24(22,23)19-15-8-14(9-15)11-21-7-6-18-12-21/h4-7,10,12,14-15,19H,8-9,11H2,1-3H3
InChIKeyMUSOUWQKXRXQDG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.01
Rot. Bonds6

About 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide

3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide (PubChem CID 154785827) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide
PubChem CID154785827
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(Cn3ccnc3)C2)cc1N(C)C
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-16(10-17(13)20(2)3)24(22,23)19-15-8-14(9-15)11-21-7-6-18-12-21/h4-7,10,12,14-15,19H,8-9,11H2,1-3H3
InChIKeyMUSOUWQKXRXQDG-UHFFFAOYSA-N
XLogP2.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide (CID 154785827) is 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(Cn3ccnc3)C2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide?
The InChIKey is MUSOUWQKXRXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-4-5-16(10-17(13)20(2)3)24(22,23)19-15-8-14(9-15)11-21-7-6-18-12-21/h4-7,10,12,14-15,19H,8-9,11H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154785827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).