3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide

C9H18ClN3O4S — CID 63860131

IUPAC3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide
SMILESCC(C)(CNC(=O)NC(=O)CCCl)NS(C)(=O)=O
InChIInChI=1S/C9H18ClN3O4S/c1-9(2,13-18(3,16)17)6-11-8(15)12-7(14)4-5-10/h13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyYEUFEKCYHQWZSX-UHFFFAOYSA-N
MW299.78 g/mol
LogP-0.23
Rot. Bonds6

About 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide

3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide (PubChem CID 63860131) has the molecular formula C9H18ClN3O4S and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide
PubChem CID63860131
Molecular FormulaC9H18ClN3O4S
Molecular Weight299.78 g/mol
Exact Mass299.07
IUPAC Name3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide
SMILESCC(C)(CNC(=O)NC(=O)CCCl)NS(C)(=O)=O
InChIInChI=1S/C9H18ClN3O4S/c1-9(2,13-18(3,16)17)6-11-8(15)12-7(14)4-5-10/h13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyYEUFEKCYHQWZSX-UHFFFAOYSA-N
XLogP-0.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide (CID 63860131) is 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide is CC(C)(CNC(=O)NC(=O)CCCl)NS(C)(=O)=O.
What is the InChIKey of 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide?
The InChIKey is YEUFEKCYHQWZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN3O4S/c1-9(2,13-18(3,16)17)6-11-8(15)12-7(14)4-5-10/h13H,4-6H2,1-3H3,(H2,11,12,14,15).
What are the key properties of 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide?
3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide has a molecular weight of 299.78 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide is sourced from PubChem (CID 63860131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).