2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol

C12H21N5O3S — CID 107223463

IUPAC2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)cn1
InChIInChI=1S/C12H21N5O3S/c13-15-12-3-2-11(10-14-12)21(19,20)17-5-1-4-16(6-7-17)8-9-18/h2-3,10,18H,1,4-9,13H2,(H,14,15)
InChIKeyKWHHINDJFUTMLR-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.94
Rot. Bonds5

About 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol

2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107223463) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107223463
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)cn1
InChIInChI=1S/C12H21N5O3S/c13-15-12-3-2-11(10-14-12)21(19,20)17-5-1-4-16(6-7-17)8-9-18/h2-3,10,18H,1,4-9,13H2,(H,14,15)
InChIKeyKWHHINDJFUTMLR-UHFFFAOYSA-N
XLogP-0.94
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
2-[4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 103833928
2-[4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107223459
1-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-3-ol
CID 61435671
[5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62932708
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66063379
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
[5-(1,3-dihydroisoindol-2-ylsulfonyl)-2-pyridinyl]hydrazine
CID 62231833

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol (CID 107223463) is 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol is NNc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)cn1.
What is the InChIKey of 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is KWHHINDJFUTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c13-15-12-3-2-11(10-14-12)21(19,20)17-5-1-4-16(6-7-17)8-9-18/h2-3,10,18H,1,4-9,13H2,(H,14,15).
What are the key properties of 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 315.40 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107223463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).