1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea

C15H30N4O3S — CID 91911025

IUPAC1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N4O3S/c1-18(2)9-12-10-19(23(3,21)22)11-14(12)17-15(20)16-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H2,16,17,20)/t12-,14-/m1/s1
InChIKeyADZDCWOQSLJYBB-TZMCWYRMSA-N
MW346.50 g/mol
LogP0.44
Rot. Bonds5

About 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea

1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea (PubChem CID 91911025) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea
PubChem CID91911025
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC Name1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea
SMILESCN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N4O3S/c1-18(2)9-12-10-19(23(3,21)22)11-14(12)17-15(20)16-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H2,16,17,20)/t12-,14-/m1/s1
InChIKeyADZDCWOQSLJYBB-TZMCWYRMSA-N
XLogP0.44
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea 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-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea (CID 91911025) is 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea is CN(C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea?
The InChIKey is ADZDCWOQSLJYBB-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-18(2)9-12-10-19(23(3,21)22)11-14(12)17-15(20)16-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H2,16,17,20)/t12-,14-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea?
1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea has a molecular weight of 346.50 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]urea is sourced from PubChem (CID 91911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).