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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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).