[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol

C13H20N4O3S — CID 143465848

IUPAC[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCNNc1ncccc1CS(=O)(=O)N1CC2CC2C1CO
InChIInChI=1S/C13H20N4O3S/c1-14-16-13-9(3-2-4-15-13)8-21(19,20)17-6-10-5-11(10)12(17)7-18/h2-4,10-12,14,18H,5-8H2,1H3,(H,15,16)
InChIKeyRSUZUVHPLVLHKJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.23
Rot. Bonds6

About [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol

[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 143465848) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID143465848
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCNNc1ncccc1CS(=O)(=O)N1CC2CC2C1CO
InChIInChI=1S/C13H20N4O3S/c1-14-16-13-9(3-2-4-15-13)8-21(19,20)17-6-10-5-11(10)12(17)7-18/h2-4,10-12,14,18H,5-8H2,1H3,(H,15,16)
InChIKeyRSUZUVHPLVLHKJ-UHFFFAOYSA-N
XLogP-0.23
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987
[1-[[2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 55139274
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 106670062
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
[(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198972
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
CID 167773559
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol (CID 143465848) is [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol is CNNc1ncccc1CS(=O)(=O)N1CC2CC2C1CO.
What is the InChIKey of [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is RSUZUVHPLVLHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-14-16-13-9(3-2-4-15-13)8-21(19,20)17-6-10-5-11(10)12(17)7-18/h2-4,10-12,14,18H,5-8H2,1H3,(H,15,16).
What are the key properties of [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
[3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 312.40 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-methylhydrazinyl)-3-pyridinyl]methylsulfonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 143465848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).