4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide

C9H20N2O2S2 — CID 106086184

IUPAC4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC1CCSC1
InChIInChI=1S/C9H20N2O2S2/c1-10-5-2-3-7-15(12,13)11-9-4-6-14-8-9/h9-11H,2-8H2,1H3
InChIKeyPVFVIGYIPXJCQX-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.41
Rot. Bonds7

About 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide

4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide (PubChem CID 106086184) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
PubChem CID106086184
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NC1CCSC1
InChIInChI=1S/C9H20N2O2S2/c1-10-5-2-3-7-15(12,13)11-9-4-6-14-8-9/h9-11H,2-8H2,1H3
InChIKeyPVFVIGYIPXJCQX-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
CID 106081409
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141536
3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
N-(thiolan-3-yl)propane-2-sulfonamide
CID 103698011
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N-(1,4-dithian-2-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106078430
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 114142410
N-cyclopropylhexane-1-sulfonamide
CID 67119181
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide (CID 106086184) is 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide is CNCCCCS(=O)(=O)NC1CCSC1.
What is the InChIKey of 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide?
The InChIKey is PVFVIGYIPXJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-10-5-2-3-7-15(12,13)11-9-4-6-14-8-9/h9-11H,2-8H2,1H3.
What are the key properties of 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide?
4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 106086184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).