(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide

C13H23N5O2S — CID 124961659

IUPAC(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1
InChIInChI=1S/C13H23N5O2S/c1-17(2)21(19,20)18-6-3-4-11(5-7-18)8-12-9-16-13(14)10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,16)/t11-/m0/s1
InChIKeyHDCUXZOFZBRMQQ-NSHDSACASA-N
MW313.43 g/mol
LogP0.51
Rot. Bonds4

About (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide

(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide (PubChem CID 124961659) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
PubChem CID124961659
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1
InChIInChI=1S/C13H23N5O2S/c1-17(2)21(19,20)18-6-3-4-11(5-7-18)8-12-9-16-13(14)10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,16)/t11-/m0/s1
InChIKeyHDCUXZOFZBRMQQ-NSHDSACASA-N
XLogP0.51
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(4S)-1-(1H-pyrazol-4-ylsulfonyl)azepan-4-yl]methyl]pyrazin-2-amine
CID 124943744
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 175661913
(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124981650
N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
CID 124998489
(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125017693
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 124991729
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124980606
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124961132
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124968323

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide?
The IUPAC name of (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide (CID 124961659) is (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide.
What is the SMILES notation for (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide?
The canonical SMILES for (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@H](Cc2cnc(N)cn2)CC1.
What is the InChIKey of (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide?
The InChIKey is HDCUXZOFZBRMQQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-17(2)21(19,20)18-6-3-4-11(5-7-18)8-12-9-16-13(14)10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,16)/t11-/m0/s1.
What are the key properties of (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide?
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 124961659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).