[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine

C10H17N5O3S — CID 62967611

IUPAC[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine
SMILESCC1CN(S(=O)(=O)c2cnc(NN)nc2)CCCO1
InChIInChI=1S/C10H17N5O3S/c1-8-7-15(3-2-4-18-8)19(16,17)9-5-12-10(14-11)13-6-9/h5-6,8H,2-4,7,11H2,1H3,(H,12,13,14)
InChIKeyGZGZGWDTXAPCCR-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.44
Rot. Bonds3

About [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine

[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine (PubChem CID 62967611) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine
PubChem CID62967611
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine
SMILESCC1CN(S(=O)(=O)c2cnc(NN)nc2)CCCO1
InChIInChI=1S/C10H17N5O3S/c1-8-7-15(3-2-4-18-8)19(16,17)9-5-12-10(14-11)13-6-9/h5-6,8H,2-4,7,11H2,1H3,(H,12,13,14)
InChIKeyGZGZGWDTXAPCCR-UHFFFAOYSA-N
XLogP-0.44
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(2-methylmorpholin-4-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61328325
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62968539
[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 79181055
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
[5-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyrimidin-2-yl]hydrazine
CID 106587539
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 63621762
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
1-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]ethanol
CID 62967994
N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62966962

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine (CID 62967611) is [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine is CC1CN(S(=O)(=O)c2cnc(NN)nc2)CCCO1.
What is the InChIKey of [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine?
The InChIKey is GZGZGWDTXAPCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-8-7-15(3-2-4-18-8)19(16,17)9-5-12-10(14-11)13-6-9/h5-6,8H,2-4,7,11H2,1H3,(H,12,13,14).
What are the key properties of [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine?
[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine has a molecular weight of 287.34 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 62967611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).