(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine

C12H22N2O2S2 — CID 105290949

IUPAC(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
SMILESCS(=O)(=O)CCCC(CCCc1cccs1)NN
InChIInChI=1S/C12H22N2O2S2/c1-18(15,16)10-4-6-11(14-13)5-2-7-12-8-3-9-17-12/h3,8-9,11,14H,2,4-7,10,13H2,1H3
InChIKeyOZGPTQJCIURXRL-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.73
Rot. Bonds9

About (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine

(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine (PubChem CID 105290949) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
PubChem CID105290949
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
SMILESCS(=O)(=O)CCCC(CCCc1cccs1)NN
InChIInChI=1S/C12H22N2O2S2/c1-18(15,16)10-4-6-11(14-13)5-2-7-12-8-3-9-17-12/h3,8-9,11,14H,2,4-7,10,13H2,1H3
InChIKeyOZGPTQJCIURXRL-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.73
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

N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
(7-methyl-1-thiophen-2-yloct-7-en-4-yl)hydrazine
CID 105335936
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
CID 63192447
(6-methylsulfonyl-1-pyridin-2-ylhexan-3-yl)hydrazine
CID 105290925
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
[1-(2,5-dimethylpyrazol-3-yl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105315827
[1-(4-bromo-2-chlorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105335240
(1-pyridin-3-yl-5-thiophen-2-ylpentan-2-yl)hydrazine
CID 105333745
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine?
The IUPAC name of (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine (CID 105290949) is (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine.
What is the SMILES notation for (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine?
The canonical SMILES for (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine is CS(=O)(=O)CCCC(CCCc1cccs1)NN.
What is the InChIKey of (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine?
The InChIKey is OZGPTQJCIURXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-18(15,16)10-4-6-11(14-13)5-2-7-12-8-3-9-17-12/h3,8-9,11,14H,2,4-7,10,13H2,1H3.
What are the key properties of (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine?
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine has a molecular weight of 290.45 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine is sourced from PubChem (CID 105290949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).