N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine

C9H20N2OS — CID 131043426

IUPACN-methyl-1-propan-2-ylsulfinylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)C(C)C)C1
InChIInChI=1S/C9H20N2OS/c1-8(2)13(12)11-6-4-5-9(7-11)10-3/h8-10H,4-7H2,1-3H3
InChIKeyPUMXHXPXVPPJPT-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.74
Rot. Bonds3

About N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine

N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine (PubChem CID 131043426) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfinylpiperidin-3-amine
PubChem CID131043426
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-propan-2-ylsulfinylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)C(C)C)C1
InChIInChI=1S/C9H20N2OS/c1-8(2)13(12)11-6-4-5-9(7-11)10-3/h8-10H,4-7H2,1-3H3
InChIKeyPUMXHXPXVPPJPT-UHFFFAOYSA-N
XLogP0.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylbutan-2-yl)piperidin-3-amine
CID 62536720
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
3-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 62547428
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
N-methyl-1-(4-propan-2-ylcyclohexyl)piperidin-3-amine
CID 62703750
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119918311
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
CID 142327095
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine (CID 131043426) is N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine is CNC1CCCN(S(=O)C(C)C)C1.
What is the InChIKey of N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine?
The InChIKey is PUMXHXPXVPPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-8(2)13(12)11-6-4-5-9(7-11)10-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine?
N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine has a molecular weight of 204.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfinylpiperidin-3-amine is sourced from PubChem (CID 131043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).