N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine

C15H30N2O3S — CID 97339755

IUPACN,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C15H30N2O3S/c1-16(2)9-5-14-6-10-17(11-7-14)21(18,19)13-8-15-4-3-12-20-15/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyUMULPXGEKJYOOV-HNNXBMFYSA-N
MW318.48 g/mol
LogP1.55
Rot. Bonds7

About N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine

N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine (PubChem CID 97339755) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
PubChem CID97339755
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C15H30N2O3S/c1-16(2)9-5-14-6-10-17(11-7-14)21(18,19)13-8-15-4-3-12-20-15/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyUMULPXGEKJYOOV-HNNXBMFYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine (CID 97339755) is N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine is CN(C)CCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine?
The InChIKey is UMULPXGEKJYOOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-16(2)9-5-14-6-10-17(11-7-14)21(18,19)13-8-15-4-3-12-20-15/h14-15H,3-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine has a molecular weight of 318.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 97339755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).