1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide

C8H19ClN2O2S — CID 63664768

IUPAC1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)CCl
InChIInChI=1S/C8H19ClN2O2S/c1-4-11(5-2)6-8(3)10-14(12,13)7-9/h8,10H,4-7H2,1-3H3
InChIKeyHLHNKYXNWFZTEV-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.83
Rot. Bonds7

About 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide

1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide (PubChem CID 63664768) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide
PubChem CID63664768
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC Name1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)CCl
InChIInChI=1S/C8H19ClN2O2S/c1-4-11(5-2)6-8(3)10-14(12,13)7-9/h8,10H,4-7H2,1-3H3
InChIKeyHLHNKYXNWFZTEV-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(diethylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide (CID 63664768) is 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide is CCN(CC)CC(C)NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide?
The InChIKey is HLHNKYXNWFZTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClN2O2S/c1-4-11(5-2)6-8(3)10-14(12,13)7-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide?
1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide has a molecular weight of 242.77 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(diethylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63664768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).