1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone

C9H16N2OS — CID 84669604

IUPAC1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
SMILESNC1CCN(C(=O)CSC2CC2)C1
InChIInChI=1S/C9H16N2OS/c10-7-3-4-11(5-7)9(12)6-13-8-1-2-8/h7-8H,1-6,10H2
InChIKeyWXPYSGOYLPKZEL-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone

1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone (PubChem CID 84669604) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
PubChem CID84669604
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
SMILESNC1CCN(C(=O)CSC2CC2)C1
InChIInChI=1S/C9H16N2OS/c10-7-3-4-11(5-7)9(12)6-13-8-1-2-8/h7-8H,1-6,10H2
InChIKeyWXPYSGOYLPKZEL-UHFFFAOYSA-N
XLogP0.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119410017
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119413509
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119413508
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone (CID 84669604) is 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone is NC1CCN(C(=O)CSC2CC2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone?
The InChIKey is WXPYSGOYLPKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c10-7-3-4-11(5-7)9(12)6-13-8-1-2-8/h7-8H,1-6,10H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone?
1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone has a molecular weight of 200.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone is sourced from PubChem (CID 84669604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).