(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C14H23N3O3S — CID 97382977

IUPAC(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyNKENEMILJGWMOF-GFCCVEGCSA-N
MW313.42 g/mol
LogP1.19
Rot. Bonds6

About (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97382977) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97382977
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyNKENEMILJGWMOF-GFCCVEGCSA-N
XLogP1.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97382977) is (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOC[C@H]1CN(S(C)(=O)=O)Cc2ncn(CC3CC3)c21.
What is the InChIKey of (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is NKENEMILJGWMOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-20-9-12-7-17(21(2,18)19)8-13-14(12)16(10-15-13)6-11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 313.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97382977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).