(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride

C14H15ClN4O2S — CID 172682582

IUPAC(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc2c(ccn2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H14N4O2S.ClH/c15-8-12-9-16-14-13(17-12)6-7-18(14)21(19,20)10-11-4-2-1-3-5-11;/h1-7,9H,8,10,15H2;1H
InChIKeyAPJFFBMAAWMESU-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.69
Rot. Bonds4

About (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride

(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride (PubChem CID 172682582) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride
PubChem CID172682582
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc2c(ccn2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H14N4O2S.ClH/c15-8-12-9-16-14-13(17-12)6-7-18(14)21(19,20)10-11-4-2-1-3-5-11;/h1-7,9H,8,10,15H2;1H
InChIKeyAPJFFBMAAWMESU-UHFFFAOYSA-N
XLogP1.69
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzylsulfonylpyrrolo[2,3-b]pyridine-5-carbonitrile
CID 175733704
tert-butyl N-(2-amino-2-oxoethyl)-N-(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)carbamate
CID 151615155
[5-(5-methylhexa-2,4-dien-2-ylsulfonyl)pyrrolo[2,3-b]pyrazin-2-yl]methanamine
CID 123353726
1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine
CID 74891255
7-benzylsulfonyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine
CID 162353224
4-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)butan-2-one
CID 58010246
8-(10-benzylsulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 170776140
2-[3-[(3S)-3-aminopyrrolidin-1-yl]-10-benzylsulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]acetic acid
CID 151029831
7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
CID 141383345
tert-butyl N-[2-[4-(benzhydrylamino)-2-methylcyclopentyl]-2-oxoethyl]-N-(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)carbamate
CID 150206078
3-[4-(azidomethyl)piperidin-1-yl]-10-benzylsulfonyl-4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 151848289
5-(7-benzylsulfonylpyrrolo[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2,5-diamine
CID 163387858

Frequently Asked Questions

What is the IUPAC name of (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride (CID 172682582) is (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride is Cl.NCc1cnc2c(ccn2S(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride?
The InChIKey is APJFFBMAAWMESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S.ClH/c15-8-12-9-16-14-13(17-12)6-7-18(14)21(19,20)10-11-4-2-1-3-5-11;/h1-7,9H,8,10,15H2;1H.
What are the key properties of (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride?
(5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride has a molecular weight of 338.82 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 172682582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).