2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide

C12H23N3O2S — CID 54981867

IUPAC2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCS(=O)CC2)CC1
InChIInChI=1S/C12H23N3O2S/c13-12(16)9-15-5-1-10(2-6-15)14-11-3-7-18(17)8-4-11/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyMFRGSMNQBZONHM-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.56
Rot. Bonds4

About 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 54981867) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID54981867
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCS(=O)CC2)CC1
InChIInChI=1S/C12H23N3O2S/c13-12(16)9-15-5-1-10(2-6-15)14-11-3-7-18(17)8-4-11/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyMFRGSMNQBZONHM-UHFFFAOYSA-N
XLogP-0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 104859652
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43746779
2-[4-[(3-methoxycyclobutyl)amino]piperidin-1-yl]acetamide
CID 104870851
2-[4-[(4-methylcycloheptyl)amino]piperidin-1-yl]acetamide
CID 65079766
2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide
CID 65083386
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
2-[4-[(2,5-dimethylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 64761265
2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
2-[4-[(2,4,4-trimethylcyclopentyl)amino]piperidin-1-yl]acetamide
CID 106662205

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide (CID 54981867) is 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC2CCS(=O)CC2)CC1.
What is the InChIKey of 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is MFRGSMNQBZONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-12(16)9-15-5-1-10(2-6-15)14-11-3-7-18(17)8-4-11/h10-11,14H,1-9H2,(H2,13,16).
What are the key properties of 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 273.40 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 54981867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).