(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone

C11H15ClN2OS — CID 115275236

IUPAC(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1(C)C(N)CCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-11(2)8(13)5-6-14(11)10(15)7-3-4-9(12)16-7/h3-4,8H,5-6,13H2,1-2H3
InChIKeyCLWHHOMCLBGJTD-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.35
Rot. Bonds1

About (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone

(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 115275236) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID115275236
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1(C)C(N)CCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-11(2)8(13)5-6-14(11)10(15)7-3-4-9(12)16-7/h3-4,8H,5-6,13H2,1-2H3
InChIKeyCLWHHOMCLBGJTD-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
1-(5-chlorothiophene-2-carbonyl)-5,5-dimethylpyrrolidin-3-one
CID 115275507
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
5-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 122111154
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone
CID 115275240
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115275243

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 115275236) is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone is CC1(C)C(N)CCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is CLWHHOMCLBGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-11(2)8(13)5-6-14(11)10(15)7-3-4-9(12)16-7/h3-4,8H,5-6,13H2,1-2H3.
What are the key properties of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 258.77 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 115275236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).