2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H23N3OS — CID 113493743

IUPAC2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1C(C)CCS(C)=O)CCNC2
InChIInChI=1S/C13H23N3OS/c1-4-13-15-11-9-14-7-5-12(11)16(13)10(2)6-8-18(3)17/h10,14H,4-9H2,1-3H3
InChIKeyKRKDUIZXZMNSMT-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.42
Rot. Bonds5

About 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 113493743) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID113493743
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1C(C)CCS(C)=O)CCNC2
InChIInChI=1S/C13H23N3OS/c1-4-13-15-11-9-14-7-5-12(11)16(13)10(2)6-8-18(3)17/h10,14H,4-9H2,1-3H3
InChIKeyKRKDUIZXZMNSMT-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxypropan-2-yl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858544
2-ethyl-1-(2-methylpentan-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857955
1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859159
1-(4-methoxybutan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858971
1-(1-cyclopropylbutan-2-yl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857939
1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 113484502
2-(2-methylpropyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858954
1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856930
1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858976
2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858543
N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine
CID 64857107
2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-methylpropanamide
CID 64858172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 113493743) is 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1C(C)CCS(C)=O)CCNC2.
What is the InChIKey of 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KRKDUIZXZMNSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-13-15-11-9-14-7-5-12(11)16(13)10(2)6-8-18(3)17/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 269.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 113493743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).