N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide

C15H30N2OS — CID 124845099

IUPACN-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(CCSC(C)(C)C)C1
InChIInChI=1S/C15H30N2OS/c1-12(2)14(18)16-13-7-6-8-17(11-13)9-10-19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyHHFINGSCEZKMTE-ZDUSSCGKSA-N
MW286.48 g/mol
LogP2.75
Rot. Bonds5

About N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide

N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 124845099) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID124845099
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(CCSC(C)(C)C)C1
InChIInChI=1S/C15H30N2OS/c1-12(2)14(18)16-13-7-6-8-17(11-13)9-10-19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyHHFINGSCEZKMTE-ZDUSSCGKSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide
CID 100733555
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
CID 154671313
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
CID 100706995
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 129352911

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide (CID 124845099) is N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CCCN(CCSC(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is HHFINGSCEZKMTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12(2)14(18)16-13-7-6-8-17(11-13)9-10-19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 286.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 124845099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).