(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine

C11H24N2O2S — CID 102977594

IUPAC(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
SMILESCC(C)(C)CCS(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)6-8-16(14,15)13-7-4-5-10(12)9-13/h10H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyARBJNNPFWWTXBR-SNVBAGLBSA-N
MW248.39 g/mol
LogP1.18
Rot. Bonds3

About (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine

(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine (PubChem CID 102977594) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
PubChem CID102977594
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
SMILESCC(C)(C)CCS(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)6-8-16(14,15)13-7-4-5-10(12)9-13/h10H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyARBJNNPFWWTXBR-SNVBAGLBSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
3-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]propanoic acid
CID 104937121
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 103832257
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
3-chloro-1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine
CID 103521877
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
CID 154905317
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
CID 103521462

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine (CID 102977594) is (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine is CC(C)(C)CCS(=O)(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine?
The InChIKey is ARBJNNPFWWTXBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)6-8-16(14,15)13-7-4-5-10(12)9-13/h10H,4-9,12H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine?
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 102977594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).