2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane

C6H11N2O5S- — CID 91488525

IUPAC2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane
SMILESCC(C)(C)OC(=O)N(C(N)=O)S(=O)[O-]
InChIInChI=1S/C6H12N2O5S/c1-6(2,3)13-5(10)8(4(7)9)14(11)12/h1-3H3,(H2,7,9)(H,11,12)/p-1
InChIKeyCVQDDJPNYAPDLZ-UHFFFAOYSA-M
MW223.23 g/mol
LogP0.10
Rot. Bonds1

About 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane

2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane (PubChem CID 91488525) has the molecular formula C6H11N2O5S- and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane
PubChem CID91488525
Molecular FormulaC6H11N2O5S-
Molecular Weight223.23 g/mol
Exact Mass223.04
IUPAC Name2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane
SMILESCC(C)(C)OC(=O)N(C(N)=O)S(=O)[O-]
InChIInChI=1S/C6H12N2O5S/c1-6(2,3)13-5(10)8(4(7)9)14(11)12/h1-3H3,(H2,7,9)(H,11,12)/p-1
InChIKeyCVQDDJPNYAPDLZ-UHFFFAOYSA-M
XLogP0.10
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
2-[(1-amino-2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanesulfinate
CID 167202325
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11267907
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-[1,1-bis[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-N-fluorocarbamate
CID 57014425
ethyl 2-[[(R)-tert-butylsulfinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,4-difluorobut-2-enoate
CID 159818465
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane?
The IUPAC name of 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane (CID 91488525) is 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane.
What is the SMILES notation for 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane?
The canonical SMILES for 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane is CC(C)(C)OC(=O)N(C(N)=O)S(=O)[O-].
What is the InChIKey of 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane?
The InChIKey is CVQDDJPNYAPDLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2O5S/c1-6(2,3)13-5(10)8(4(7)9)14(11)12/h1-3H3,(H2,7,9)(H,11,12)/p-1.
What are the key properties of 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane?
2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane has a molecular weight of 223.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane is sourced from PubChem (CID 91488525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).