1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one

C14H24N2OS — CID 143074790

IUPAC1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one
SMILESC=C(NC1CCN(C(=O)CC)CC1)S/C(C)=C\C
InChIInChI=1S/C14H24N2OS/c1-5-11(3)18-12(4)15-13-7-9-16(10-8-13)14(17)6-2/h5,13,15H,4,6-10H2,1-3H3/b11-5-
InChIKeyZUUHJZBTHGWMDB-WZUFQYTHSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one

1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one (PubChem CID 143074790) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one
PubChem CID143074790
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one
SMILESC=C(NC1CCN(C(=O)CC)CC1)S/C(C)=C\C
InChIInChI=1S/C14H24N2OS/c1-5-11(3)18-12(4)15-13-7-9-16(10-8-13)14(17)6-2/h5,13,15H,4,6-10H2,1-3H3/b11-5-
InChIKeyZUUHJZBTHGWMDB-WZUFQYTHSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-(1-propanoylpiperidin-4-yl)formamide
CID 87856562
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379
3-[(1E)-1-[(Z)-but-2-en-2-yl]sulfanylbuta-1,3-dienyl]-1-cycloheptyl-1-(1-propanoylpiperidin-4-yl)urea
CID 143074893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
3-[1-[(E)-1-chloroprop-1-enyl]sulfanylethenyl]-1-cycloheptyl-1-(1-propanoylpiperidin-4-yl)urea
CID 143074748
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567125
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
CID 131939521
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one (CID 143074790) is 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one is C=C(NC1CCN(C(=O)CC)CC1)S/C(C)=C\C.
What is the InChIKey of 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one?
The InChIKey is ZUUHJZBTHGWMDB-WZUFQYTHSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-11(3)18-12(4)15-13-7-9-16(10-8-13)14(17)6-2/h5,13,15H,4,6-10H2,1-3H3/b11-5-.
What are the key properties of 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one?
1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one has a molecular weight of 268.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(Z)-but-2-en-2-yl]sulfanylethenylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 143074790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).