N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide

C12H22N2OS — CID 106628625

IUPACN-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCSCC(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C12H22N2OS/c1-16-9-12(15)14(11-4-5-11)8-10-3-2-6-13-7-10/h10-11,13H,2-9H2,1H3
InChIKeyJTGWXLDVHDSYTF-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds5

About N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide

N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 106628625) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
PubChem CID106628625
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCSCC(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C12H22N2OS/c1-16-9-12(15)14(11-4-5-11)8-10-3-2-6-13-7-10/h10-11,13H,2-9H2,1H3
InChIKeyJTGWXLDVHDSYTF-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methoxy-N-(piperidin-3-ylmethyl)acetamide
CID 106628700
N-ethyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63637616
N-cyclopropyl-3-(dimethylamino)-N-(piperidin-3-ylmethyl)propanamide
CID 106628487
3-cyclohexyl-N-cyclopropyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628725
N-methyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63642298
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628049
N-cyclopropyl-N-(piperidin-3-ylmethyl)-2-pyrazol-1-ylacetamide
CID 106628799
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106628760

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide (CID 106628625) is N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide is CSCC(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is JTGWXLDVHDSYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-16-9-12(15)14(11-4-5-11)8-10-3-2-6-13-7-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide?
N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 242.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 106628625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).