(3-aminopiperidin-1-yl)methanesulfinate

C6H13N2O2S- — CID 174645324

IUPAC(3-aminopiperidin-1-yl)methanesulfinate
SMILESNC1CCCN(CS(=O)[O-])C1
InChIInChI=1S/C6H14N2O2S/c7-6-2-1-3-8(4-6)5-11(9)10/h6H,1-5,7H2,(H,9,10)/p-1
InChIKeyDSKRCGIBBULYDE-UHFFFAOYSA-M
MW177.25 g/mol
LogP-0.75
Rot. Bonds2

About (3-aminopiperidin-1-yl)methanesulfinate

(3-aminopiperidin-1-yl)methanesulfinate (PubChem CID 174645324) has the molecular formula C6H13N2O2S- and a molecular weight of 177.25 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)methanesulfinate.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)methanesulfinate
PubChem CID174645324
Molecular FormulaC6H13N2O2S-
Molecular Weight177.25 g/mol
Exact Mass177.07
IUPAC Name(3-aminopiperidin-1-yl)methanesulfinate
SMILESNC1CCCN(CS(=O)[O-])C1
InChIInChI=1S/C6H14N2O2S/c7-6-2-1-3-8(4-6)5-11(9)10/h6H,1-5,7H2,(H,9,10)/p-1
InChIKeyDSKRCGIBBULYDE-UHFFFAOYSA-M
XLogP-0.75
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-aminopiperidine-1-sulfinate
CID 134503902
[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
CID 174569351
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
1-(3-cyclohexylpropyl)piperidin-3-amine
CID 102550649
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
3-(4-aminopiperidin-1-yl)propane-1-sulfinate
CID 84674665
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)methanesulfinate?
The IUPAC name of (3-aminopiperidin-1-yl)methanesulfinate (CID 174645324) is (3-aminopiperidin-1-yl)methanesulfinate.
What is the SMILES notation for (3-aminopiperidin-1-yl)methanesulfinate?
The canonical SMILES for (3-aminopiperidin-1-yl)methanesulfinate is NC1CCCN(CS(=O)[O-])C1.
What is the InChIKey of (3-aminopiperidin-1-yl)methanesulfinate?
The InChIKey is DSKRCGIBBULYDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2S/c7-6-2-1-3-8(4-6)5-11(9)10/h6H,1-5,7H2,(H,9,10)/p-1.
What are the key properties of (3-aminopiperidin-1-yl)methanesulfinate?
(3-aminopiperidin-1-yl)methanesulfinate has a molecular weight of 177.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)methanesulfinate is sourced from PubChem (CID 174645324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).