N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide

C12H24N2O2S2 — CID 114116779

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CC2CCCNC2)CCC1
InChIInChI=1S/C12H24N2O2S2/c1-17-12(5-3-6-12)10-14-18(15,16)9-11-4-2-7-13-8-11/h11,13-14H,2-10H2,1H3
InChIKeySDQAJSJYLCOPOZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.19
Rot. Bonds6

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 114116779) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID114116779
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CC2CCCNC2)CCC1
InChIInChI=1S/C12H24N2O2S2/c1-17-12(5-3-6-12)10-14-18(15,16)9-11-4-2-7-13-8-11/h11,13-14H,2-10H2,1H3
InChIKeySDQAJSJYLCOPOZ-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 114116782
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120876267
N-(2-cyclopentyloxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 63829038
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
CID 80528334

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 114116779) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide is CSC1(CNS(=O)(=O)CC2CCCNC2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is SDQAJSJYLCOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-17-12(5-3-6-12)10-14-18(15,16)9-11-4-2-7-13-8-11/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 114116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).