1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one

C13H24N2OS — CID 50949036

IUPAC1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one
SMILESCC1CCN(C(=O)CCNC2CCSC2)CC1
InChIInChI=1S/C13H24N2OS/c1-11-3-7-15(8-4-11)13(16)2-6-14-12-5-9-17-10-12/h11-12,14H,2-10H2,1H3
InChIKeyFQGGDCKNSCZRTR-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one

1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one (PubChem CID 50949036) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one
PubChem CID50949036
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one
SMILESCC1CCN(C(=O)CCNC2CCSC2)CC1
InChIInChI=1S/C13H24N2OS/c1-11-3-7-15(8-4-11)13(16)2-6-14-12-5-9-17-10-12/h11-12,14H,2-10H2,1H3
InChIKeyFQGGDCKNSCZRTR-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45194130
2-Methyl-1-[3-(thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 118740659
8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919142
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
2-thiomorpholin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 66421836
2-Thiomorpholin-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 114271818
1-[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119942472
1-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 121691931
1-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 121691932
N-[2-(dimethylamino)ethyl]-3-[1-(tetrahydro-3-thienyl)-4-piperidinyl]propanamide
CID 45211862
1-cyclopentyl-4-[(tetrahydro-2H-thiopyran-4-ylamino)methyl]pyrrolidin-2-one
CID 50970230

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one (CID 50949036) is 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one is CC1CCN(C(=O)CCNC2CCSC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one?
The InChIKey is FQGGDCKNSCZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11-3-7-15(8-4-11)13(16)2-6-14-12-5-9-17-10-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one?
1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one has a molecular weight of 256.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(thiolan-3-ylamino)propan-1-one is sourced from PubChem (CID 50949036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).