[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine

C14H29N3O3S — CID 103560527

IUPAC[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine
SMILESCOC1(CC(CC2CCCN(S(C)(=O)=O)C2)NN)CCC1
InChIInChI=1S/C14H29N3O3S/c1-20-14(6-4-7-14)10-13(16-15)9-12-5-3-8-17(11-12)21(2,18)19/h12-13,16H,3-11,15H2,1-2H3
InChIKeyZVCYOPRPBQMFMS-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.84
Rot. Bonds7

About [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine

[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine (PubChem CID 103560527) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine
PubChem CID103560527
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine
SMILESCOC1(CC(CC2CCCN(S(C)(=O)=O)C2)NN)CCC1
InChIInChI=1S/C14H29N3O3S/c1-20-14(6-4-7-14)10-13(16-15)9-12-5-3-8-17(11-12)21(2,18)19/h12-13,16H,3-11,15H2,1-2H3
InChIKeyZVCYOPRPBQMFMS-UHFFFAOYSA-N
XLogP0.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.84
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

[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217639
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
[1-(1-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322790
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116707033
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine (CID 103560527) is [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine is COC1(CC(CC2CCCN(S(C)(=O)=O)C2)NN)CCC1.
What is the InChIKey of [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine?
The InChIKey is ZVCYOPRPBQMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-20-14(6-4-7-14)10-13(16-15)9-12-5-3-8-17(11-12)21(2,18)19/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine?
[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine has a molecular weight of 319.47 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 103560527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).