N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide

C11H22ClNO3S — CID 63396761

IUPACN-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22ClNO3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-9H2,1-2H3
InChIKeyCVUQVTBOPINPIV-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.83
Rot. Bonds6

About N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide

N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide (PubChem CID 63396761) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide
PubChem CID63396761
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22ClNO3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-9H2,1-2H3
InChIKeyCVUQVTBOPINPIV-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(propan-2-yl)oxane-4-sulfonamide
CID 177073151
4-(3-Chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
CID 43653869
3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
CID 43653909
4-(3-Chloropropylsulfonyl)-3-ethylmorpholine
CID 43653910
4-(3-Chloropropylsulfonyl)-3-methylmorpholine
CID 43654397
3-chloro-N-(2-methoxyethyl)-N-pentan-3-ylpropane-1-sulfonamide
CID 54877370
N-(2-chloroethyl)-N-pentan-3-yloxane-4-sulfonamide
CID 55186705
N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
CID 55186706
N-(3-chloropropyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63396377
N-(2-chloroethyl)-N-methyloxane-4-sulfonamide
CID 63396388
4-Chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylethanesulfonamide
CID 63396420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide (CID 63396761) is N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide is CC(C)N(CCCCl)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is CVUQVTBOPINPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide?
N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 63396761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).