N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide

C8H17Cl2NO6S2 — CID 159672140

IUPACN,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide
SMILESCCOCCS(=O)(=O)CC(C)(C)N(Cl)Cl.O=S(=O)=O
InChIInChI=1S/C8H17Cl2NO3S.O3S/c1-4-14-5-6-15(12,13)7-8(2,3)11(9)10;1-4(2)3/h4-7H2,1-3H3;
InChIKeyMUDCDPXUHFJLLG-UHFFFAOYSA-N
MW358.27 g/mol
LogP0.82
Rot. Bonds7

About N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide

N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide (PubChem CID 159672140) has the molecular formula C8H17Cl2NO6S2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide.

Molecular Properties

Compound NameN,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide
PubChem CID159672140
Molecular FormulaC8H17Cl2NO6S2
Molecular Weight358.27 g/mol
Exact Mass356.99
IUPAC NameN,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide
SMILESCCOCCS(=O)(=O)CC(C)(C)N(Cl)Cl.O=S(=O)=O
InChIInChI=1S/C8H17Cl2NO3S.O3S/c1-4-14-5-6-15(12,13)7-8(2,3)11(9)10;1-4(2)3/h4-7H2,1-3H3;
InChIKeyMUDCDPXUHFJLLG-UHFFFAOYSA-N
XLogP0.82
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dichloroamino)-2-methylpropyl]sulfonylethyl-trimethylazanium chloride
CID 46199918
2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine
CID 91382920
2-[2-[2-[2-[2-(chloroamino)-2-methylpropyl]sulfonylethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 87691639
2-[2-(2-ethoxyethoxy)ethylsulfonyl]acetonitrile
CID 87616943
sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
CID 173043495
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 79268992
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
2-(dichloroamino)-2-methylpropane-1-sulfonic acid;2-(dichloroamino)propane-1-sulfonic acid
CID 87370884

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide?
The IUPAC name of N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide (CID 159672140) is N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide.
What is the SMILES notation for N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide?
The canonical SMILES for N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide is CCOCCS(=O)(=O)CC(C)(C)N(Cl)Cl.O=S(=O)=O.
What is the InChIKey of N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide?
The InChIKey is MUDCDPXUHFJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2NO3S.O3S/c1-4-14-5-6-15(12,13)7-8(2,3)11(9)10;1-4(2)3/h4-7H2,1-3H3;.
What are the key properties of N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide?
N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide has a molecular weight of 358.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-1-(2-ethoxyethylsulfonyl)-2-methylpropan-2-amine;sulfur trioxide is sourced from PubChem (CID 159672140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).