N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide

C11H22ClNO3S — CID 63396377

IUPACN-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22ClNO3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9H2,1-2H3
InChIKeyGDQBHRXOKQCGQL-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.83
Rot. Bonds7

About N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide

N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 63396377) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID63396377
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22ClNO3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9H2,1-2H3
InChIKeyGDQBHRXOKQCGQL-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.83
H-Bond Donors ≤ 50
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 N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide (CID 63396377) is N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCCl)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is GDQBHRXOKQCGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-10(2)13(7-4-6-12)17(14,15)9-11-5-3-8-16-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide?
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 63396377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).