[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol

C14H27N3O3S — CID 79935038

IUPAC[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCC1CN2CCCC2CN1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H27N3O3S/c1-12-8-15-6-3-5-14(15)10-17(12)21(19,20)16-7-2-4-13(9-16)11-18/h12-14,18H,2-11H2,1H3
InChIKeyIFEJUUFERIWDTJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.10
Rot. Bonds3

About [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol

[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol (PubChem CID 79935038) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
PubChem CID79935038
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCC1CN2CCCC2CN1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H27N3O3S/c1-12-8-15-6-3-5-14(15)10-17(12)21(19,20)16-7-2-4-13(9-16)11-18/h12-14,18H,2-11H2,1H3
InChIKeyIFEJUUFERIWDTJ-UHFFFAOYSA-N
XLogP0.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 83223644
(3R,8aR)-3-methyl-2-propylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129425480
2-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 129461289
ethyl 1-[3-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 43589603
N-(3-hydroxypropyl)-N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79937523
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-3-yl]methanol
CID 104517008
[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
methyl 4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]butanoate
CID 78993753
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol?
The IUPAC name of [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) is [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol is CC1CN2CCCC2CN1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol?
The InChIKey is IFEJUUFERIWDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12-8-15-6-3-5-14(15)10-17(12)21(19,20)16-7-2-4-13(9-16)11-18/h12-14,18H,2-11H2,1H3.
What are the key properties of [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol?
[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol has a molecular weight of 317.46 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol is sourced from PubChem (CID 79935038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).