N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide

C12H22N2OS — CID 66421807

IUPACN-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCCC1
InChIInChI=1S/C12H22N2OS/c15-12(7-11-9-16-6-5-13-11)14-8-10-3-1-2-4-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyDSOHNLXKTUEIPZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds4

About N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide

N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421807) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421807
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCCC1
InChIInChI=1S/C12H22N2OS/c15-12(7-11-9-16-6-5-13-11)14-8-10-3-1-2-4-10/h10-11,13H,1-9H2,(H,14,15)
InChIKeyDSOHNLXKTUEIPZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 80600876
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935650
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide (CID 66421807) is N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is DSOHNLXKTUEIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c15-12(7-11-9-16-6-5-13-11)14-8-10-3-1-2-4-10/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide?
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).