2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide

C10H21ClN2O3S — CID 79585552

IUPAC2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H21ClN2O3S/c1-4-12-10(14)7-13(5-2)17(15,16)8-9(3)6-11/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyBJJWBFJLSQLFMH-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.65
Rot. Bonds8

About 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 79585552) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID79585552
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H21ClN2O3S/c1-4-12-10(14)7-13(5-2)17(15,16)8-9(3)6-11/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyBJJWBFJLSQLFMH-UHFFFAOYSA-N
XLogP0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-methylpropyl)sulfonyl-propylamino]-N-propylacetamide
CID 79585925
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79585653
2-[butyl-(3-chloro-2-methylpropyl)sulfonylamino]acetamide
CID 79586100
ethyl 2-[(3-chloro-2-methylpropyl)sulfonyl-propylamino]acetate
CID 79586231
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-2-methylpropanoate
CID 79586368
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
CID 79580807
N-ethyl-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 23588498

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide (CID 79585552) is 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is BJJWBFJLSQLFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O3S/c1-4-12-10(14)7-13(5-2)17(15,16)8-9(3)6-11/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 284.81 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylpropyl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 79585552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).