piperidin-3-yl sulfamate

C5H12N2O3S — CID 164534332

IUPACpiperidin-3-yl sulfamate
SMILESNS(=O)(=O)OC1CCCNC1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyWSXRKQIDYJFFEP-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.04
Rot. Bonds2

About piperidin-3-yl sulfamate

piperidin-3-yl sulfamate (PubChem CID 164534332) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is piperidin-3-yl sulfamate.

Molecular Properties

Compound Namepiperidin-3-yl sulfamate
PubChem CID164534332
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Namepiperidin-3-yl sulfamate
SMILESNS(=O)(=O)OC1CCCNC1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyWSXRKQIDYJFFEP-UHFFFAOYSA-N
XLogP-1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-yl methanesulfonate
CID 121321387
formic acid;pyrrolidin-3-yl sulfamate
CID 145371977
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
3-methoxypiperidine;hydrochloride
CID 23142000
piperidin-3-yl 2-methylpropanoate
CID 53409773
3-(cyclobutylmethoxy)piperidine
CID 53409348
azepane-4-sulfonamide
CID 137380068
piperidin-3-yloxyboronic acid
CID 142674048
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl sulfamate?
The IUPAC name of piperidin-3-yl sulfamate (CID 164534332) is piperidin-3-yl sulfamate.
What is the SMILES notation for piperidin-3-yl sulfamate?
The canonical SMILES for piperidin-3-yl sulfamate is NS(=O)(=O)OC1CCCNC1.
What is the InChIKey of piperidin-3-yl sulfamate?
The InChIKey is WSXRKQIDYJFFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h5,7H,1-4H2,(H2,6,8,9).
What are the key properties of piperidin-3-yl sulfamate?
piperidin-3-yl sulfamate has a molecular weight of 180.23 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl sulfamate is sourced from PubChem (CID 164534332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).