N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide

C11H22N2OS — CID 106628049

IUPACN-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCSCCC(=O)N(C)CC1CCCNC1
InChIInChI=1S/C11H22N2OS/c1-13(11(14)5-7-15-2)9-10-4-3-6-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyFFYGIJFRUOZXMQ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide

N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 106628049) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID106628049
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCSCCC(=O)N(C)CC1CCCNC1
InChIInChI=1S/C11H22N2OS/c1-13(11(14)5-7-15-2)9-10-4-3-6-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyFFYGIJFRUOZXMQ-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
2-acetamido-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628048
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973
N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628625
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-methyl-N-(piperidin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627955
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
CID 114038062
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-cyclopropyl-3-(dimethylamino)-N-(piperidin-3-ylmethyl)propanamide
CID 106628487
2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide (CID 106628049) is N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide is CSCCC(=O)N(C)CC1CCCNC1.
What is the InChIKey of N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is FFYGIJFRUOZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-13(11(14)5-7-15-2)9-10-4-3-6-12-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide?
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 230.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 106628049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).