1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide

C10H22ClNO2S — CID 79488883

IUPAC1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCl
InChIInChI=1S/C10H22ClNO2S/c1-5-10(6-2)12(7-9(3)4)15(13,14)8-11/h9-10H,5-8H2,1-4H3
InChIKeyBDSNKLOUFVNCOI-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.66
Rot. Bonds7

About 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide

1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide (PubChem CID 79488883) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
PubChem CID79488883
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCl
InChIInChI=1S/C10H22ClNO2S/c1-5-10(6-2)12(7-9(3)4)15(13,14)8-11/h9-10H,5-8H2,1-4H3
InChIKeyBDSNKLOUFVNCOI-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide (CID 79488883) is 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide?
The InChIKey is BDSNKLOUFVNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-5-10(6-2)12(7-9(3)4)15(13,14)8-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide?
1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 79488883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).