5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine

C10H17N3O2S — CID 79994455

IUPAC5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2cc[nH]c2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-4-9(11)7-13(6-8)16(14,15)10-2-3-12-5-10/h2-3,5,8-9,12H,4,6-7,11H2,1H3
InChIKeyDSAONQAEVKNNGR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.37
Rot. Bonds2

About 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine

5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine (PubChem CID 79994455) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine
PubChem CID79994455
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2cc[nH]c2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-4-9(11)7-13(6-8)16(14,15)10-2-3-12-5-10/h2-3,5,8-9,12H,4,6-7,11H2,1H3
InChIKeyDSAONQAEVKNNGR-UHFFFAOYSA-N
XLogP0.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79994044
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
CID 115275623
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
CID 79993396
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79994182
3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine (CID 79994455) is 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine is CC1CC(N)CN(S(=O)(=O)c2cc[nH]c2)C1.
What is the InChIKey of 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine?
The InChIKey is DSAONQAEVKNNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-4-9(11)7-13(6-8)16(14,15)10-2-3-12-5-10/h2-3,5,8-9,12H,4,6-7,11H2,1H3.
What are the key properties of 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine?
5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine has a molecular weight of 243.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 79994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).