1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine

C10H18INO2S — CID 126630195

IUPAC1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine
SMILESCC1(I)CCN(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C10H18INO2S/c1-10(11)4-6-12(7-5-10)15(13,14)8-9-2-3-9/h9H,2-8H2,1H3
InChIKeyCYQSFCFMSJCPLQ-UHFFFAOYSA-N
MW343.23 g/mol
LogP2.02
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine

1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine (PubChem CID 126630195) has the molecular formula C10H18INO2S and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine
PubChem CID126630195
Molecular FormulaC10H18INO2S
Molecular Weight343.23 g/mol
Exact Mass343.01
IUPAC Name1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine
SMILESCC1(I)CCN(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C10H18INO2S/c1-10(11)4-6-12(7-5-10)15(13,14)8-9-2-3-9/h9H,2-8H2,1H3
InChIKeyCYQSFCFMSJCPLQ-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine (CID 126630195) is 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine is CC1(I)CCN(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine?
The InChIKey is CYQSFCFMSJCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO2S/c1-10(11)4-6-12(7-5-10)15(13,14)8-9-2-3-9/h9H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine?
1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine has a molecular weight of 343.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine is sourced from PubChem (CID 126630195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).