3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide

C10H22ClNO3S — CID 79585384

IUPAC3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO3S/c1-5-12(10(3)7-15-4)16(13,14)8-9(2)6-11/h9-10H,5-8H2,1-4H3
InChIKeyOZSHLZTXFCHIQI-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.55
Rot. Bonds8

About 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide

3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 79585384) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID79585384
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H22ClNO3S/c1-5-12(10(3)7-15-4)16(13,14)8-9(2)6-11/h9-10H,5-8H2,1-4H3
InChIKeyOZSHLZTXFCHIQI-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
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

3-chloro-N-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562
3-chloro-2-methyl-N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
CID 79585745
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
CID 79580807
3-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79585929
3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
CID 81061526
1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 55139513
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-2-methylpropanoate
CID 79586368
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propane-2-sulfonamide
CID 64584190
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]propanoate
CID 79585964
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide (CID 79585384) is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide is CCN(C(C)COC)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is OZSHLZTXFCHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-5-12(10(3)7-15-4)16(13,14)8-9(2)6-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide?
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).