3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine

C11H19N3O2S — CID 114267693

IUPAC3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cc[nH]c2)CCC1N
InChIInChI=1S/C11H19N3O2S/c1-11(2)8-14(6-4-10(11)12)17(15,16)9-3-5-13-7-9/h3,5,7,10,13H,4,6,8,12H2,1-2H3
InChIKeyFVVOAJBWPPRZEF-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.76
Rot. Bonds2

About 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine

3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine (PubChem CID 114267693) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
PubChem CID114267693
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cc[nH]c2)CCC1N
InChIInChI=1S/C11H19N3O2S/c1-11(2)8-14(6-4-10(11)12)17(15,16)9-3-5-13-7-9/h3,5,7,10,13H,4,6,8,12H2,1-2H3
InChIKeyFVVOAJBWPPRZEF-UHFFFAOYSA-N
XLogP0.76
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778940
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-one
CID 115276564
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 120779154
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine (CID 114267693) is 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine is CC1(C)CN(S(=O)(=O)c2cc[nH]c2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine?
The InChIKey is FVVOAJBWPPRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)8-14(6-4-10(11)12)17(15,16)9-3-5-13-7-9/h3,5,7,10,13H,4,6,8,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine?
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 114267693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).