3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide

C13H24ClNO3S2 — CID 79585920

IUPAC3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H24ClNO3S2/c1-11(7-14)10-20(16,17)15(12-4-6-19-9-12)8-13-3-2-5-18-13/h11-13H,2-10H2,1H3
InChIKeyGKSUEXVWVPVQJS-UHFFFAOYSA-N
MW341.93 g/mol
LogP2.18
Rot. Bonds7

About 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide

3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide (PubChem CID 79585920) has the molecular formula C13H24ClNO3S2 and a molecular weight of 341.93 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
PubChem CID79585920
Molecular FormulaC13H24ClNO3S2
Molecular Weight341.93 g/mol
Exact Mass341.09
IUPAC Name3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C13H24ClNO3S2/c1-11(7-14)10-20(16,17)15(12-4-6-19-9-12)8-13-3-2-5-18-13/h11-13H,2-10H2,1H3
InChIKeyGKSUEXVWVPVQJS-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide (CID 79585920) is 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide?
The InChIKey is GKSUEXVWVPVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO3S2/c1-11(7-14)10-20(16,17)15(12-4-6-19-9-12)8-13-3-2-5-18-13/h11-13H,2-10H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide has a molecular weight of 341.93 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 79585920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).