1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

C13H19IN2O2S — CID 120778940

IUPAC1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cccc(I)c2)CCC1N
InChIInChI=1S/C13H19IN2O2S/c1-13(2)9-16(7-6-12(13)15)19(17,18)11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyKWNIGAAJJYCLJL-UHFFFAOYSA-N
MW394.28 g/mol
LogP2.04
Rot. Bonds2

About 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120778940) has the molecular formula C13H19IN2O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120778940
Molecular FormulaC13H19IN2O2S
Molecular Weight394.28 g/mol
Exact Mass394.02
IUPAC Name1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cccc(I)c2)CCC1N
InChIInChI=1S/C13H19IN2O2S/c1-13(2)9-16(7-6-12(13)15)19(17,18)11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyKWNIGAAJJYCLJL-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120778982
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 120779215
7-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 120779618
1-[5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 120779993
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 120779154
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120778940) is 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2cccc(I)c2)CCC1N.
What is the InChIKey of 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is KWNIGAAJJYCLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2S/c1-13(2)9-16(7-6-12(13)15)19(17,18)11-5-3-4-10(14)8-11/h3-5,8,12H,6-7,9,15H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 394.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120778940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).