N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide

C9H19ClN2O3S — CID 79267830

IUPACN-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19ClN2O3S/c1-8(2)9(7-10)11-16(13,14)12-3-5-15-6-4-12/h8-9,11H,3-7H2,1-2H3
InChIKeyBKEVPQYYIKENEZ-UHFFFAOYSA-N
MW270.78 g/mol
LogP0.42
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide

N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide (PubChem CID 79267830) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
PubChem CID79267830
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
SMILESCC(C)C(CCl)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19ClN2O3S/c1-8(2)9(7-10)11-16(13,14)12-3-5-15-6-4-12/h8-9,11H,3-7H2,1-2H3
InChIKeyBKEVPQYYIKENEZ-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 50.42
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

N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
CID 65033713
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
4-(3-chloro-2-methylpropyl)sulfonylmorpholine
CID 79579785
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626
N-(1-amino-4-methylpentan-3-yl)azepane-1-sulfonamide
CID 106357410
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
N-(1-aminohexan-2-yl)morpholine-4-sulfonamide
CID 80696386
1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea
CID 134115048

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide (CID 79267830) is N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide is CC(C)C(CCl)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The InChIKey is BKEVPQYYIKENEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O3S/c1-8(2)9(7-10)11-16(13,14)12-3-5-15-6-4-12/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide?
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide has a molecular weight of 270.78 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 79267830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).