4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine

C11H21N3OS — CID 81195653

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine
SMILESCC(N)CCS(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3OS/c1-9(2)14-6-4-11(13-14)8-16(15)7-5-10(3)12/h4,6,9-10H,5,7-8,12H2,1-3H3
InChIKeyQGGSBUROKUJJKT-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.45
Rot. Bonds6

About 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine

4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine (PubChem CID 81195653) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine
PubChem CID81195653
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine
SMILESCC(N)CCS(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H21N3OS/c1-9(2)14-6-4-11(13-14)8-16(15)7-5-10(3)12/h4,6,9-10H,5,7-8,12H2,1-3H3
InChIKeyQGGSBUROKUJJKT-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]butan-2-amine
CID 81194177
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
CID 116610103
3,5-difluoro-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]aniline
CID 64772814
4-[(1-methylindazol-3-yl)methylsulfinyl]butan-2-amine
CID 81194617
2-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]aniline
CID 81182330
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
4-[(4-iodophenyl)methylsulfinyl]butan-2-amine
CID 81194469
3-fluoro-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]aniline
CID 81192798
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine (CID 81195653) is 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine is CC(N)CCS(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine?
The InChIKey is QGGSBUROKUJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)14-6-4-11(13-14)8-16(15)7-5-10(3)12/h4,6,9-10H,5,7-8,12H2,1-3H3.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine?
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 81195653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).