3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide

C10H18ClNO2S — CID 79580276

IUPAC3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H18ClNO2S/c1-4-6-12(7-5-2)15(13,14)9-10(3)8-11/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMLEVQNPQELDEJD-UHFFFAOYSA-N
MW251.78 g/mol
LogP1.87
Rot. Bonds8

About 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide

3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide (PubChem CID 79580276) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
PubChem CID79580276
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H18ClNO2S/c1-4-6-12(7-5-2)15(13,14)9-10(3)8-11/h4-5,10H,1-2,6-9H2,3H3
InChIKeyMLEVQNPQELDEJD-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide (CID 79580276) is 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The InChIKey is MLEVQNPQELDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-4-6-12(7-5-2)15(13,14)9-10(3)8-11/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide has a molecular weight of 251.78 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 79580276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).