(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine

C14H22N2O4S2 — CID 124691045

IUPAC(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S2/c1-11(15)12-7-5-6-10-16(12)22(19,20)14-9-4-3-8-13(14)21(2,17)18/h3-4,8-9,11-12H,5-7,10,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyCVSDUCDNIWTYPC-RYUDHWBXSA-N
MW346.47 g/mol
LogP0.98
Rot. Bonds4

About (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine

(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 124691045) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID124691045
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S2/c1-11(15)12-7-5-6-10-16(12)22(19,20)14-9-4-3-8-13(14)21(2,17)18/h3-4,8-9,11-12H,5-7,10,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyCVSDUCDNIWTYPC-RYUDHWBXSA-N
XLogP0.98
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
[2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999660
1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120999580
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
CID 125118643
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124688177

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine (CID 124691045) is (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine is C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is CVSDUCDNIWTYPC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-11(15)12-7-5-6-10-16(12)22(19,20)14-9-4-3-8-13(14)21(2,17)18/h3-4,8-9,11-12H,5-7,10,15H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine?
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 346.47 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 124691045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).