4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid

C10H20N2O4S — CID 19706124

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)11-8-4-6-12(7-5-8)17(14)15/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyNSDXKVZAMXWPLC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.11
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid (PubChem CID 19706124) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
PubChem CID19706124
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)11-8-4-6-12(7-5-8)17(14)15/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyNSDXKVZAMXWPLC-UHFFFAOYSA-N
XLogP1.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate
CID 175488421
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
CID 59130918

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid (CID 19706124) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid is CC(C)(C)OC(=O)NC1CCN(S(=O)O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid?
The InChIKey is NSDXKVZAMXWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)11-8-4-6-12(7-5-8)17(14)15/h8H,4-7H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid has a molecular weight of 264.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid is sourced from PubChem (CID 19706124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).