3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide

C11H22ClNO3S — CID 79585801

IUPAC3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H22ClNO3S/c1-10(7-12)9-17(14,15)13(2)8-11-3-5-16-6-4-11/h10-11H,3-9H2,1-2H3
InChIKeyGSRUNGDQJARIFX-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.55
Rot. Bonds6

About 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide

3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide (PubChem CID 79585801) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide
PubChem CID79585801
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H22ClNO3S/c1-10(7-12)9-17(14,15)13(2)8-11-3-5-16-6-4-11/h10-11H,3-9H2,1-2H3
InChIKeyGSRUNGDQJARIFX-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
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N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
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(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
CID 98847541
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N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
N-methyl-N-(oxan-4-ylmethyl)piperazine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide (CID 79585801) is 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)CC1CCOCC1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is GSRUNGDQJARIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-10(7-12)9-17(14,15)13(2)8-11-3-5-16-6-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 79585801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).