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

C14H24N4O3S — CID 118738848

IUPAC3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
SMILESCC1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C14H24N4O3S/c1-11-14-15-8-13(10-21-9-12-4-5-12)17(14)6-7-18(11)22(19,20)16(2)3/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyUKBQLDMVFVLTJP-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.99
Rot. Bonds6

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

3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 118738848) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
PubChem CID118738848
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
SMILESCC1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)N(C)C
InChIInChI=1S/C14H24N4O3S/c1-11-14-15-8-13(10-21-9-12-4-5-12)17(14)6-7-18(11)22(19,20)16(2)3/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyUKBQLDMVFVLTJP-UHFFFAOYSA-N
XLogP0.99
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,8H-imidazo(4,3-c)(1,4)oxazine
CID 14368849
3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738854
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
1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one
CID 118741209
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-cyclobutyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743401
7-cyclopentyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743403
3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118742724
3-(cyclopropylmethoxymethyl)-8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155825901

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide (CID 118738848) is 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide is CC1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is UKBQLDMVFVLTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11-14-15-8-13(10-21-9-12-4-5-12)17(14)6-7-18(11)22(19,20)16(2)3/h8,11-12H,4-7,9-10H2,1-3H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide?
3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 118738848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).