N-methyl-N-piperidin-3-ylmethanesulfinamide

C7H16N2OS — CID 130905817

IUPACN-methyl-N-piperidin-3-ylmethanesulfinamide
SMILESCN(C1CCCNC1)S(C)=O
InChIInChI=1S/C7H16N2OS/c1-9(11(2)10)7-4-3-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyNPONXDRSEUMPOW-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.04
Rot. Bonds2

About N-methyl-N-piperidin-3-ylmethanesulfinamide

N-methyl-N-piperidin-3-ylmethanesulfinamide (PubChem CID 130905817) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-ylmethanesulfinamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-ylmethanesulfinamide
PubChem CID130905817
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-methyl-N-piperidin-3-ylmethanesulfinamide
SMILESCN(C1CCCNC1)S(C)=O
InChIInChI=1S/C7H16N2OS/c1-9(11(2)10)7-4-3-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyNPONXDRSEUMPOW-UHFFFAOYSA-N
XLogP-0.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
N-methyl-N-pyrrolidin-3-ylethanesulfinamide
CID 130993708
N-methyl-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 127263584
N-methyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63642298
(3S)-N,N-dimethylazepan-3-amine;dihydrochloride
CID 170898378
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
methyl(piperidin-3-yl)cyanamide
CID 105428076
N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
CID 65077288
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-ylmethanesulfinamide?
The IUPAC name of N-methyl-N-piperidin-3-ylmethanesulfinamide (CID 130905817) is N-methyl-N-piperidin-3-ylmethanesulfinamide.
What is the SMILES notation for N-methyl-N-piperidin-3-ylmethanesulfinamide?
The canonical SMILES for N-methyl-N-piperidin-3-ylmethanesulfinamide is CN(C1CCCNC1)S(C)=O.
What is the InChIKey of N-methyl-N-piperidin-3-ylmethanesulfinamide?
The InChIKey is NPONXDRSEUMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-9(11(2)10)7-4-3-5-8-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-piperidin-3-ylmethanesulfinamide?
N-methyl-N-piperidin-3-ylmethanesulfinamide has a molecular weight of 176.28 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-ylmethanesulfinamide is sourced from PubChem (CID 130905817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).