2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide

C13H21BrN4O2S — CID 174698725

IUPAC2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESCC(C)CNC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H21BrN4O2S/c1-9(2)6-17-13(3-4-13)8-18-21(19,20)11-5-10(14)7-16-12(11)15/h5,7,9,17-18H,3-4,6,8H2,1-2H3,(H2,15,16)
InChIKeyDOZSPFUOKQLKOE-UHFFFAOYSA-N
MW377.31 g/mol
LogP1.48
Rot. Bonds7

About 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide (PubChem CID 174698725) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide
PubChem CID174698725
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC Name2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide
SMILESCC(C)CNC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H21BrN4O2S/c1-9(2)6-17-13(3-4-13)8-18-21(19,20)11-5-10(14)7-16-12(11)15/h5,7,9,17-18H,3-4,6,8H2,1-2H3,(H2,15,16)
InChIKeyDOZSPFUOKQLKOE-UHFFFAOYSA-N
XLogP1.48
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103823892
2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103838013
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide (CID 174698725) is 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide is CC(C)CNC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide?
The InChIKey is DOZSPFUOKQLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-9(2)6-17-13(3-4-13)8-18-21(19,20)11-5-10(14)7-16-12(11)15/h5,7,9,17-18H,3-4,6,8H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide has a molecular weight of 377.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 174698725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).