(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid

C8H16N2O4S — CID 67501269

IUPAC(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid
SMILESCS(=O)(=O)N1CCCC(CNC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-15(13,14)10-4-2-3-7(6-10)5-9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyNGFLQTYEEQNTGB-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.07
Rot. Bonds3

About (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid

(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid (PubChem CID 67501269) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid
PubChem CID67501269
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid
SMILESCS(=O)(=O)N1CCCC(CNC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-15(13,14)10-4-2-3-7(6-10)5-9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyNGFLQTYEEQNTGB-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid?
The IUPAC name of (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid (CID 67501269) is (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid.
What is the SMILES notation for (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid?
The canonical SMILES for (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid is CS(=O)(=O)N1CCCC(CNC(=O)O)C1.
What is the InChIKey of (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid?
The InChIKey is NGFLQTYEEQNTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-15(13,14)10-4-2-3-7(6-10)5-9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid?
(1-methylsulfonylpiperidin-3-yl)methylcarbamic acid has a molecular weight of 236.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-3-yl)methylcarbamic acid is sourced from PubChem (CID 67501269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).