3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide

C15H23N3O3S — CID 6498843

IUPAC3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCC(C)C1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-12(2)14-17(15(19)16(3)4)10-11-18(14)22(20,21)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyBQSKGRXMXLSKGM-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.66
Rot. Bonds3

About 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide

3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide (PubChem CID 6498843) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide
PubChem CID6498843
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide
SMILESCC(C)C1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-12(2)14-17(15(19)16(3)4)10-11-18(14)22(20,21)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyBQSKGRXMXLSKGM-UHFFFAOYSA-N
XLogP1.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide (CID 6498843) is 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide is CC(C)C1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
The InChIKey is BQSKGRXMXLSKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(2)14-17(15(19)16(3)4)10-11-18(14)22(20,21)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3.
What are the key properties of 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide?
3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,N-dimethyl-2-propan-2-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 6498843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).