3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine

C14H23ClN4O2S — CID 164632482

IUPAC3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1Cl
InChIInChI=1S/C14H23ClN4O2S/c1-4-16-14-13(15)8-12(9-17-14)22(20,21)19-7-5-6-11(10-19)18(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyJHAVIHGDUPVOCP-NSHDSACASA-N
MW346.88 g/mol
LogP1.88
Rot. Bonds5

About 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine

3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine (PubChem CID 164632482) has the molecular formula C14H23ClN4O2S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine
PubChem CID164632482
Molecular FormulaC14H23ClN4O2S
Molecular Weight346.88 g/mol
Exact Mass346.12
IUPAC Name3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1Cl
InChIInChI=1S/C14H23ClN4O2S/c1-4-16-14-13(15)8-12(9-17-14)22(20,21)19-7-5-6-11(10-19)18(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyJHAVIHGDUPVOCP-NSHDSACASA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine?
The IUPAC name of 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine (CID 164632482) is 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1Cl.
What is the InChIKey of 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine?
The InChIKey is JHAVIHGDUPVOCP-NSHDSACASA-N. The full InChI is InChI=1S/C14H23ClN4O2S/c1-4-16-14-13(15)8-12(9-17-14)22(20,21)19-7-5-6-11(10-19)18(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine?
3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine has a molecular weight of 346.88 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 164632482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).