N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide

C9H20N2O5S — CID 107848008

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)N1CCCCC1
InChIInChI=1S/C9H20N2O5S/c12-6-9(7-13,8-14)10-17(15,16)11-4-2-1-3-5-11/h10,12-14H,1-8H2
InChIKeyNTRALARLRBGOSD-UHFFFAOYSA-N
MW268.33 g/mol
LogP-1.98
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide (PubChem CID 107848008) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
PubChem CID107848008
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)N1CCCCC1
InChIInChI=1S/C9H20N2O5S/c12-6-9(7-13,8-14)10-17(15,16)11-4-2-1-3-5-11/h10,12-14H,1-8H2
InChIKeyNTRALARLRBGOSD-UHFFFAOYSA-N
XLogP-1.98
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide (CID 107848008) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide is O=S(=O)(NC(CO)(CO)CO)N1CCCCC1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide?
The InChIKey is NTRALARLRBGOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c12-6-9(7-13,8-14)10-17(15,16)11-4-2-1-3-5-11/h10,12-14H,1-8H2.
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide has a molecular weight of 268.33 g/mol, XLogP of -1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 107848008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).