N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

C12H25N3O3S — CID 79937523

IUPACN-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCC1CN2CCCC2CN1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C12H25N3O3S/c1-11-9-14-7-3-5-12(14)10-15(11)19(17,18)13(2)6-4-8-16/h11-12,16H,3-10H2,1-2H3
InChIKeySYXMFMQNFUWBLV-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.29
Rot. Bonds5

About N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (PubChem CID 79937523) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
PubChem CID79937523
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCC1CN2CCCC2CN1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C12H25N3O3S/c1-11-9-14-7-3-5-12(14)10-15(11)19(17,18)13(2)6-4-8-16/h11-12,16H,3-10H2,1-2H3
InChIKeySYXMFMQNFUWBLV-UHFFFAOYSA-N
XLogP-0.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79924715
(3R,8aR)-3-methyl-2-propylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129425480
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
CID 79935038
N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 102887387
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
methyl 4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]butanoate
CID 78993753
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
[5-methyl-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyrazol-4-yl]methanol
CID 79935702
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (CID 79937523) is N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is CC1CN2CCCC2CN1S(=O)(=O)N(C)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is SYXMFMQNFUWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11-9-14-7-3-5-12(14)10-15(11)19(17,18)13(2)6-4-8-16/h11-12,16H,3-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 79937523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).