5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide

C14H23N3O2S — CID 106031617

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O2S/c1-4-14(2,3)17-20(18,19)13-8-5-11(10-16-13)9-15-12-6-7-12/h5,8,10,12,15,17H,4,6-7,9H2,1-3H3
InChIKeyNRBFAIQKCSBNNE-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.80
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide (PubChem CID 106031617) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
PubChem CID106031617
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H23N3O2S/c1-4-14(2,3)17-20(18,19)13-8-5-11(10-16-13)9-15-12-6-7-12/h5,8,10,12,15,17H,4,6-7,9H2,1-3H3
InChIKeyNRBFAIQKCSBNNE-UHFFFAOYSA-N
XLogP1.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 106081360
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
CID 106082374
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106001152
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide (CID 106031617) is 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide?
The InChIKey is NRBFAIQKCSBNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-14(2,3)17-20(18,19)13-8-5-11(10-16-13)9-15-12-6-7-12/h5,8,10,12,15,17H,4,6-7,9H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106031617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).