5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

C12H21N5O3S — CID 66052921

IUPAC5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C12H21N5O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)12-6-14-4-3-11(12)15-13/h3-4,6,9-10,18H,5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyXHWUFCMXJXCOBN-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.95
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (PubChem CID 66052921) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
PubChem CID66052921
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C12H21N5O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)12-6-14-4-3-11(12)15-13/h3-4,6,9-10,18H,5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyXHWUFCMXJXCOBN-UHFFFAOYSA-N
XLogP-0.95
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 ≤ 5-0.95
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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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (CID 66052921) is 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1cnccc1NN.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is XHWUFCMXJXCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-16(2)7-9-5-10(18)8-17(9)21(19,20)12-6-14-4-3-11(12)15-13/h3-4,6,9-10,18H,5,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 315.40 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).