1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide

C9H20N2O2S2 — CID 106089112

IUPAC1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C9H20N2O2S2/c1-8(5-10-2)15(12,13)11-6-9-3-4-14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyIEXRMXFTSSEDIB-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.27
Rot. Bonds6

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

1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide (PubChem CID 106089112) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
PubChem CID106089112
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C9H20N2O2S2/c1-8(5-10-2)15(12,13)11-6-9-3-4-14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyIEXRMXFTSSEDIB-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089017
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
3-(propan-2-ylamino)-N-(thiolan-3-ylmethyl)propane-1-sulfonamide
CID 107297045
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide (CID 106089112) is 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is IEXRMXFTSSEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-8(5-10-2)15(12,13)11-6-9-3-4-14-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide?
1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106089112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).