(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid

C8H18ClNO3S — CID 159076460

IUPAC(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid
SMILESCCCC[C@]1(CC)CN1.O=S(=O)(O)Cl
InChIInChI=1S/C8H17N.ClHO3S/c1-3-5-6-8(4-2)7-9-8;1-5(2,3)4/h9H,3-7H2,1-2H3;(H,2,3,4)/t8-;/m1./s1
InChIKeyKAHSQIZSXPGZMS-DDWIOCJRSA-N
MW243.76 g/mol
LogP1.96
Rot. Bonds4

About (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid

(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid (PubChem CID 159076460) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid.

Molecular Properties

Compound Name(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid
PubChem CID159076460
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid
SMILESCCCC[C@]1(CC)CN1.O=S(=O)(O)Cl
InChIInChI=1S/C8H17N.ClHO3S/c1-3-5-6-8(4-2)7-9-8;1-5(2,3)4/h9H,3-7H2,1-2H3;(H,2,3,4)/t8-;/m1./s1
InChIKeyKAHSQIZSXPGZMS-DDWIOCJRSA-N
XLogP1.96
TPSA76.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 174930042
pentane;silver;sulfurothioic O-acid
CID 174495617
sulfuric acid;tridecane
CID 91872702
ethanesulfonic acid;pentane
CID 174496196
2-butyl-2-(3-chloropropyl)-1,3-dioxolane
CID 177295352
2,2,6,6-tetrabutylpiperidine
CID 22415175
2-ethyl-2-pentylazepane
CID 79116798
sodium;sulfuric acid;tetradecane
CID 170922474
2-ethyl-2-(3-methylsulfonylpropyl)azepane
CID 79117199
2,2-diethyl-5,5-dimethylpiperazine
CID 64884641
2-butyl-2-hexylpyrrolidine
CID 174534205
ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine
CID 177059837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid?
The IUPAC name of (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid (CID 159076460) is (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid.
What is the SMILES notation for (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid?
The canonical SMILES for (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid is CCCC[C@]1(CC)CN1.O=S(=O)(O)Cl.
What is the InChIKey of (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid?
The InChIKey is KAHSQIZSXPGZMS-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H17N.ClHO3S/c1-3-5-6-8(4-2)7-9-8;1-5(2,3)4/h9H,3-7H2,1-2H3;(H,2,3,4)/t8-;/m1./s1.
What are the key properties of (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid?
(2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid has a molecular weight of 243.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-2-ethylaziridine;sulfurochloridic acid is sourced from PubChem (CID 159076460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).