N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine

C14H23N3O2S — CID 64799368

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H23N3O2S/c18-20(19)9-3-4-13(11-20)15-10-12-7-8-17(16-12)14-5-1-2-6-14/h7-8,13-15H,1-6,9-11H2
InChIKeyQZHPJPZNQPZEAO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine (PubChem CID 64799368) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
PubChem CID64799368
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NCc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H23N3O2S/c18-20(19)9-3-4-13(11-20)15-10-12-7-8-17(16-12)14-5-1-2-6-14/h7-8,13-15H,1-6,9-11H2
InChIKeyQZHPJPZNQPZEAO-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]thian-3-amine
CID 64772175
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 63924407

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine (CID 64799368) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine is O=S1(=O)CCCC(NCc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine?
The InChIKey is QZHPJPZNQPZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-20(19)9-3-4-13(11-20)15-10-12-7-8-17(16-12)14-5-1-2-6-14/h7-8,13-15H,1-6,9-11H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine has a molecular weight of 297.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine is sourced from PubChem (CID 64799368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).