3,3-dimethyl-1-methylsulfonylpiperidin-4-amine

C8H18N2O2S — CID 115269791

IUPAC3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
SMILESCC1(C)CN(S(C)(=O)=O)CCC1N
InChIInChI=1S/C8H18N2O2S/c1-8(2)6-10(13(3,11)12)5-4-7(8)9/h7H,4-6,9H2,1-3H3
InChIKeyXJBVQTLZTVTTHH-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds1

About 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine

3,3-dimethyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 115269791) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
PubChem CID115269791
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
SMILESCC1(C)CN(S(C)(=O)=O)CCC1N
InChIInChI=1S/C8H18N2O2S/c1-8(2)6-10(13(3,11)12)5-4-7(8)9/h7H,4-6,9H2,1-3H3
InChIKeyXJBVQTLZTVTTHH-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
4-bromo-3,3-dimethyl-1-methylsulfonylpiperidine
CID 130533745
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
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
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine (CID 115269791) is 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine is CC1(C)CN(S(C)(=O)=O)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is XJBVQTLZTVTTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2)6-10(13(3,11)12)5-4-7(8)9/h7H,4-6,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 115269791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).