(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid

C6H12N2O5S — CID 170434856

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid
SMILESCC1(O)CCN(S(=O)(=O)NC(=O)O)C1
InChIInChI=1S/C6H12N2O5S/c1-6(11)2-3-8(4-6)14(12,13)7-5(9)10/h7,11H,2-4H2,1H3,(H,9,10)
InChIKeyNTHZSAQPWKTOTN-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.04
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid

(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid (PubChem CID 170434856) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid
PubChem CID170434856
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid
SMILESCC1(O)CCN(S(=O)(=O)NC(=O)O)C1
InChIInChI=1S/C6H12N2O5S/c1-6(11)2-3-8(4-6)14(12,13)7-5(9)10/h7,11H,2-4H2,1H3,(H,9,10)
InChIKeyNTHZSAQPWKTOTN-UHFFFAOYSA-N
XLogP-1.04
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid (CID 170434856) is (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid is CC1(O)CCN(S(=O)(=O)NC(=O)O)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid?
The InChIKey is NTHZSAQPWKTOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-6(11)2-3-8(4-6)14(12,13)7-5(9)10/h7,11H,2-4H2,1H3,(H,9,10).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid?
(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid has a molecular weight of 224.24 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylcarbamic acid is sourced from PubChem (CID 170434856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).