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

C11H24N2O2S2 — CID 106071625

IUPAC1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C11H24N2O2S2/c1-9(2)12-7-10(3)17(14,15)13-8-11-5-4-6-16-11/h9-13H,4-8H2,1-3H3
InChIKeyCFGALFBYFPUZDC-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.19
Rot. Bonds7

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

1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide (PubChem CID 106071625) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
PubChem CID106071625
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C11H24N2O2S2/c1-9(2)12-7-10(3)17(14,15)13-8-11-5-4-6-16-11/h9-13H,4-8H2,1-3H3
InChIKeyCFGALFBYFPUZDC-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide
CID 80586209
N-[(1-methylpiperidin-2-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106051009
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071641
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
CID 106017991
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
3-chloro-N-(thiolan-2-ylmethyl)propane-1-sulfonamide
CID 80586248
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide (CID 106071625) is 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NCC1CCCS1.
What is the InChIKey of 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide?
The InChIKey is CFGALFBYFPUZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-9(2)12-7-10(3)17(14,15)13-8-11-5-4-6-16-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide?
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide has a molecular weight of 280.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106071625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).