2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide

C15H30N2OS — CID 79721209

IUPAC2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)CSC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-5-10-17(11-13-6-8-16-9-7-13)14(18)12-19-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyZIAGGNGMTZVULP-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.76
Rot. Bonds6

About 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide

2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide (PubChem CID 79721209) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
PubChem CID79721209
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)CSC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-5-10-17(11-13-6-8-16-9-7-13)14(18)12-19-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyZIAGGNGMTZVULP-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
N-(piperidin-4-ylmethyl)-N-propylpent-4-enamide
CID 79721360
2-ethyl-N-(piperidin-4-ylmethyl)-N-propylbutanamide
CID 79721437
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702981
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
CID 60801915
5-oxo-N-(piperidin-4-ylmethyl)-N-propylpyrrolidine-2-carboxamide
CID 79721070

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide (CID 79721209) is 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide is CCCN(CC1CCNCC1)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The InChIKey is ZIAGGNGMTZVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-5-10-17(11-13-6-8-16-9-7-13)14(18)12-19-15(2,3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide has a molecular weight of 286.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 79721209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).