[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone

C12H23N3OS — CID 82908167

IUPAC[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
SMILESCN(C)CC1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C12H23N3OS/c1-14(2)8-10-4-3-6-15(10)12(16)11-9-17-7-5-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyGCEAFYUXCHPSLQ-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.24
Rot. Bonds3

About [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone

[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone (PubChem CID 82908167) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
PubChem CID82908167
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
SMILESCN(C)CC1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C12H23N3OS/c1-14(2)8-10-4-3-6-15(10)12(16)11-9-17-7-5-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyGCEAFYUXCHPSLQ-UHFFFAOYSA-N
XLogP0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(dimethylamino)methyl]-1,4-thiazepane-4-carbonyl]pyrrolidin-2-one
CID 90568020
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 62889291
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
CID 82908203
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908300
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 64824655
1-(thiomorpholine-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195325
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone (CID 82908167) is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The canonical SMILES for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone is CN(C)CC1CCCN1C(=O)C1CSCCN1.
What is the InChIKey of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
The InChIKey is GCEAFYUXCHPSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-14(2)8-10-4-3-6-15(10)12(16)11-9-17-7-5-13-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone?
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone has a molecular weight of 257.40 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82908167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).