3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide

C16H28N4O3S — CID 118738854

IUPAC3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
SMILESCC1c2ncc(COCC3CCCC3)n2CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C16H28N4O3S/c1-13-16-17-10-15(12-23-11-14-6-4-5-7-14)19(16)8-9-20(13)24(21,22)18(2)3/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyZBNHPCBOVHBLOZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.77
Rot. Bonds6

About 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide

3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 118738854) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound Name3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
PubChem CID118738854
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
SMILESCC1c2ncc(COCC3CCCC3)n2CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C16H28N4O3S/c1-13-16-17-10-15(12-23-11-14-6-4-5-7-14)19(16)8-9-20(13)24(21,22)18(2)3/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyZBNHPCBOVHBLOZ-UHFFFAOYSA-N
XLogP1.77
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738848
3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738866
8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118739000
7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118739007
3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118742725
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118742735
7-cyclopentyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743403
3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 131658494
3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131663876
3-propan-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 167224407
3-methyl-5-propan-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 171801464
(8R)-3-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 97421817

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide (CID 118738854) is 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide is CC1c2ncc(COCC3CCCC3)n2CCN1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is ZBNHPCBOVHBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-13-16-17-10-15(12-23-11-14-6-4-5-7-14)19(16)8-9-20(13)24(21,22)18(2)3/h10,13-14H,4-9,11-12H2,1-3H3.
What are the key properties of 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 118738854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).