N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide

C11H24ClNO3S — CID 103521709

IUPACN-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO3S/c1-11(2,3)6-7-17(14,15)13(4)8-10(12)9-16-5/h10H,6-9H2,1-5H3
InChIKeyVAEZBFTZYNGJTM-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.94
Rot. Bonds7

About N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide

N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide (PubChem CID 103521709) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
PubChem CID103521709
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO3S/c1-11(2,3)6-7-17(14,15)13(4)8-10(12)9-16-5/h10H,6-9H2,1-5H3
InChIKeyVAEZBFTZYNGJTM-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.94
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-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
CID 103916497
N-(2-chloro-3-methoxypropyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 63400752
N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylpropane-1-sulfonamide
CID 80673178
2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730931
N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 63400837
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242741
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 55185755
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521702
N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 63387619

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide (CID 103521709) is N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide is COCC(Cl)CN(C)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The InChIKey is VAEZBFTZYNGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-11(2,3)6-7-17(14,15)13(4)8-10(12)9-16-5/h10H,6-9H2,1-5H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).