N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine

C12H26N2O2S — CID 126515467

IUPACN,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine
SMILESCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)13(4)9-11-7-6-8-14(10-11)17(5,15)16/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyMTBGQGSGAUTMOQ-NSHDSACASA-N
MW262.42 g/mol
LogP1.39
Rot. Bonds3

About N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine

N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine (PubChem CID 126515467) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine
PubChem CID126515467
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine
SMILESCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)13(4)9-11-7-6-8-14(10-11)17(5,15)16/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyMTBGQGSGAUTMOQ-NSHDSACASA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methanesulfonamide, N-methyl-N-(1,2,2,6,6-pentamethyl-4-piperidyl)-
CID 618942
N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine
CID 127465712
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
CID 94197261
N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanesulfonamide;hydrochloride
CID 126478381
(3S,5R)-3,5-dimethyl-1-methylsulfonylpiperidine
CID 1237762
3,5-Dimethyl-1-(methylsulfonyl)piperidine
CID 3914809
1-Methylsulfonyl-4-propan-2-ylpiperidine
CID 20712281
N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine
CID 21061626
3,4-Dimethyl-1-methylsulfonylpiperidine
CID 21061709
N-methyl-N-(1-propylpiperidin-4-yl)methanesulfonamide
CID 21328019
3-Ethyl-1-methylsulfonylpiperidine
CID 53986697
1-Methylsulfonyl-4-propylpiperidine
CID 54239447

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine (CID 126515467) is N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine is CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine?
The InChIKey is MTBGQGSGAUTMOQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)13(4)9-11-7-6-8-14(10-11)17(5,15)16/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine?
N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 126515467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).