N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide

C9H19NO2S2 — CID 107270941

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(SC)CCC1
InChIInChI=1S/C9H19NO2S2/c1-3-7-14(11,12)10-8-9(13-2)5-4-6-9/h10H,3-8H2,1-2H3
InChIKeyPSZZLPAKMGQYQL-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.60
Rot. Bonds6

About N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide

N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide (PubChem CID 107270941) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
PubChem CID107270941
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(SC)CCC1
InChIInChI=1S/C9H19NO2S2/c1-3-7-14(11,12)10-8-9(13-2)5-4-6-9/h10H,3-8H2,1-2H3
InChIKeyPSZZLPAKMGQYQL-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
CID 112751639
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
4-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]butane-1-sulfonamide
CID 106002291

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide (CID 107270941) is N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(SC)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide?
The InChIKey is PSZZLPAKMGQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-3-7-14(11,12)10-8-9(13-2)5-4-6-9/h10H,3-8H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide?
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide has a molecular weight of 237.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 107270941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).