1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine

C11H21N3OS — CID 81190010

IUPAC1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine
SMILESCCc1cc(CS(=O)CC(C)N)n(CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-10-6-11(14(5-2)13-10)8-16(15)7-9(3)12/h6,9H,4-5,7-8,12H2,1-3H3
InChIKeyXVDTZMQBNFNCAJ-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.06
Rot. Bonds6

About 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine

1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine (PubChem CID 81190010) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine
PubChem CID81190010
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine
SMILESCCc1cc(CS(=O)CC(C)N)n(CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-10-6-11(14(5-2)13-10)8-16(15)7-9(3)12/h6,9H,4-5,7-8,12H2,1-3H3
InChIKeyXVDTZMQBNFNCAJ-UHFFFAOYSA-N
XLogP1.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine 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

2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
CID 81188101
3-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]aniline
CID 81180286
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfinyl]propan-2-amine
CID 81189891
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
4-(1,3-diethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81007921
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]butanoate
CID 66115770
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine (CID 81190010) is 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine is CCc1cc(CS(=O)CC(C)N)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine?
The InChIKey is XVDTZMQBNFNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-10-6-11(14(5-2)13-10)8-16(15)7-9(3)12/h6,9H,4-5,7-8,12H2,1-3H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine?
1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 81190010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).