1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

C15H27N3O4S — CID 50976286

IUPAC1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O
InChIInChI=1S/C15H27N3O4S/c1-12(2)10-17-11-13(9-14(17)19)15(20)16-5-4-6-18(8-7-16)23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyDLCUIYWJOKIJGD-UHFFFAOYSA-N
MW345.47 g/mol
LogP-0.02
Rot. Bonds4

About 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 50976286) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID50976286
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O
InChIInChI=1S/C15H27N3O4S/c1-12(2)10-17-11-13(9-14(17)19)15(20)16-5-4-6-18(8-7-16)23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyDLCUIYWJOKIJGD-UHFFFAOYSA-N
XLogP-0.02
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (CID 50976286) is 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is CC(C)CN1CC(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is DLCUIYWJOKIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-12(2)10-17-11-13(9-14(17)19)15(20)16-5-4-6-18(8-7-16)23(3,21)22/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 345.47 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 50976286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).