(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

C14H25NO2S — CID 99851077

IUPAC(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCS(=O)(=O)CCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11-,12+,13+,14-/m0/s1
InChIKeyMZVJHTPKRWYCOF-QNSTZXKLSA-N
MW271.43 g/mol
LogP1.84
Rot. Bonds5

About (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 99851077) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID99851077
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCS(=O)(=O)CCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11-,12+,13+,14-/m0/s1
InChIKeyMZVJHTPKRWYCOF-QNSTZXKLSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine with MolForge

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Related Compounds

(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
(1S,2R,6S,7R,8S)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568433
(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
CID 107651448
1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone
CID 129432914
N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 114107677
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729848

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 99851077) is (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is CCS(=O)(=O)CCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is MZVJHTPKRWYCOF-QNSTZXKLSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-18(16,17)7-6-15-14-9-10-8-13(14)12-5-3-4-11(10)12/h10-15H,2-9H2,1H3/t10-,11-,12+,13+,14-/m0/s1.
What are the key properties of (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 99851077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).