N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide

C9H20N2O5S2 — CID 102887387

IUPACN-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C9H20N2O5S2/c1-9-8-17(13,14)7-5-11(9)18(15,16)10(2)4-3-6-12/h9,12H,3-8H2,1-2H3
InChIKeyGFCJIFXVOVQZTK-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.34
Rot. Bonds5

About N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide

N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide (PubChem CID 102887387) has the molecular formula C9H20N2O5S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
PubChem CID102887387
Molecular FormulaC9H20N2O5S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC NameN-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C9H20N2O5S2/c1-9-8-17(13,14)7-5-11(9)18(15,16)10(2)4-3-6-12/h9,12H,3-8H2,1-2H3
InChIKeyGFCJIFXVOVQZTK-UHFFFAOYSA-N
XLogP-1.34
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide (CID 102887387) is N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide is CC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The InChIKey is GFCJIFXVOVQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S2/c1-9-8-17(13,14)7-5-11(9)18(15,16)10(2)4-3-6-12/h9,12H,3-8H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of -1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide is sourced from PubChem (CID 102887387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).