N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide

C14H28N2O2S — CID 106335983

IUPACN,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-9-19(17,18)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12?,14+/m0/s1
InChIKeyLYPGRULXSNWJQA-HFUMIRBISA-N
MW288.46 g/mol
LogP1.68
Rot. Bonds5

About N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide

N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide (PubChem CID 106335983) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
PubChem CID106335983
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-9-19(17,18)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12?,14+/m0/s1
InChIKeyLYPGRULXSNWJQA-HFUMIRBISA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide with MolForge

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
CID 103894738
N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040859
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
CID 107245182
methyl 4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 115400634
(1R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302658
N-(3-ethylsulfanylpropyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113473531
2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
CID 106019116
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400894

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide (CID 106335983) is N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide?
The InChIKey is LYPGRULXSNWJQA-HFUMIRBISA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-9-19(17,18)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12?,14+/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide is sourced from PubChem (CID 106335983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).