1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone

C11H20N2OS — CID 107132382

IUPAC1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone
SMILESO=C(CNCC1CCSC1)N1CCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-4-1-2-5-13)8-12-7-10-3-6-15-9-10/h10,12H,1-9H2
InChIKeyUZNJDYHYUHRCJZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.95
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone

1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone (PubChem CID 107132382) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone
PubChem CID107132382
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone
SMILESO=C(CNCC1CCSC1)N1CCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-4-1-2-5-13)8-12-7-10-3-6-15-9-10/h10,12H,1-9H2
InChIKeyUZNJDYHYUHRCJZ-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
tert-butyl 4-[2-(thian-3-ylmethylamino)acetyl]piperazine-1-carboxylate
CID 114282888
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
1-piperidin-1-yl-2-(thian-4-yl)ethanone
CID 71917750
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
N-(cyclopropylmethyl)-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685310
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone (CID 107132382) is 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone is O=C(CNCC1CCSC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone?
The InChIKey is UZNJDYHYUHRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-4-1-2-5-13)8-12-7-10-3-6-15-9-10/h10,12H,1-9H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone?
1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone has a molecular weight of 228.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(thiolan-3-ylmethylamino)ethanone is sourced from PubChem (CID 107132382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).