3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide

C11H24N2O2S2 — CID 107297045

IUPAC3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCC1CCSC1
InChIInChI=1S/C11H24N2O2S2/c1-10(2)12-5-3-7-17(14,15)13-8-11-4-6-16-9-11/h10-13H,3-9H2,1-2H3
InChIKeyCEPWHOGLAIXMHF-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.05
Rot. Bonds8

About 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide

3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide (PubChem CID 107297045) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
PubChem CID107297045
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCC1CCSC1
InChIInChI=1S/C11H24N2O2S2/c1-10(2)12-5-3-7-17(14,15)13-8-11-4-6-16-9-11/h10-13H,3-9H2,1-2H3
InChIKeyCEPWHOGLAIXMHF-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.05
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

3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
N-[(3-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090843
1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089112
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114516179
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089017
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-(1,4-dithian-2-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106078430
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide (CID 107297045) is 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NCC1CCSC1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is CEPWHOGLAIXMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-10(2)12-5-3-7-17(14,15)13-8-11-4-6-16-9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide?
3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 280.46 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 107297045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).