(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine

C7H18N2O3S — CID 114984584

IUPAC(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine
SMILESCOCCC(CCS(C)(=O)=O)NN
InChIInChI=1S/C7H18N2O3S/c1-12-5-3-7(9-8)4-6-13(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyJTCRZTIAKWZEIO-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.71
Rot. Bonds7

About (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine

(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine (PubChem CID 114984584) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine.

Molecular Properties

Compound Name(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine
PubChem CID114984584
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine
SMILESCOCCC(CCS(C)(=O)=O)NN
InChIInChI=1S/C7H18N2O3S/c1-12-5-3-7(9-8)4-6-13(2,10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyJTCRZTIAKWZEIO-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-1-methylsulfonylhexan-3-yl)hydrazine
CID 114984912
[1-(4-methoxyphenyl)-5-methylsulfonylpentan-3-yl]hydrazine
CID 114984994
(1-methoxy-2-methyl-7-methylsulfonylheptan-4-yl)hydrazine
CID 105290999
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
(1,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026405
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
1-(2-methoxyethoxy)hexan-3-ylhydrazine
CID 102929882
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 106181408
1-(2-methoxyethoxy)oct-7-en-3-ylhydrazine
CID 102929851
1-methoxyhexadecan-4-ylhydrazine
CID 105224978

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine?
The IUPAC name of (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine (CID 114984584) is (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine.
What is the SMILES notation for (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine?
The canonical SMILES for (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine is COCCC(CCS(C)(=O)=O)NN.
What is the InChIKey of (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine?
The InChIKey is JTCRZTIAKWZEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-12-5-3-7(9-8)4-6-13(2,10)11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine?
(1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine has a molecular weight of 210.30 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-5-methylsulfonylpentan-3-yl)hydrazine is sourced from PubChem (CID 114984584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).