3-(thian-4-ylamino)piperidin-2-one

C10H18N2OS — CID 62093935

IUPAC3-(thian-4-ylamino)piperidin-2-one
SMILESO=C1NCCCC1NC1CCSCC1
InChIInChI=1S/C10H18N2OS/c13-10-9(2-1-5-11-10)12-8-3-6-14-7-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyKTPNNLDNSNQQER-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.75
Rot. Bonds2

About 3-(thian-4-ylamino)piperidin-2-one

3-(thian-4-ylamino)piperidin-2-one (PubChem CID 62093935) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(thian-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(thian-4-ylamino)piperidin-2-one
PubChem CID62093935
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(thian-4-ylamino)piperidin-2-one
SMILESO=C1NCCCC1NC1CCSCC1
InChIInChI=1S/C10H18N2OS/c13-10-9(2-1-5-11-10)12-8-3-6-14-7-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyKTPNNLDNSNQQER-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-4-ylamino)piperidin-2-one?
The IUPAC name of 3-(thian-4-ylamino)piperidin-2-one (CID 62093935) is 3-(thian-4-ylamino)piperidin-2-one.
What is the SMILES notation for 3-(thian-4-ylamino)piperidin-2-one?
The canonical SMILES for 3-(thian-4-ylamino)piperidin-2-one is O=C1NCCCC1NC1CCSCC1.
What is the InChIKey of 3-(thian-4-ylamino)piperidin-2-one?
The InChIKey is KTPNNLDNSNQQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c13-10-9(2-1-5-11-10)12-8-3-6-14-7-4-8/h8-9,12H,1-7H2,(H,11,13).
What are the key properties of 3-(thian-4-ylamino)piperidin-2-one?
3-(thian-4-ylamino)piperidin-2-one has a molecular weight of 214.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-4-ylamino)piperidin-2-one is sourced from PubChem (CID 62093935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).