N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide

C8H16N4O2S — CID 137095882

IUPACN-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide
SMILES[H]/N=C(\C=C/N)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N4O2S/c1-15(13,14)11-7-3-5-12(6-7)8(10)2-4-9/h2,4,7,10-11H,3,5-6,9H2,1H3/b4-2-,10-8+
InChIKeyDFDSCWMTCRETEW-SFJBRHGZSA-N
MW232.31 g/mol
LogP-0.94
Rot. Bonds3

About N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 137095882) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID137095882
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide
SMILES[H]/N=C(\C=C/N)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N4O2S/c1-15(13,14)11-7-3-5-12(6-7)8(10)2-4-9/h2,4,7,10-11H,3,5-6,9H2,1H3/b4-2-,10-8+
InChIKeyDFDSCWMTCRETEW-SFJBRHGZSA-N
XLogP-0.94
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide 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

N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-(1-aminopyrrolidin-3-yl)methanesulfonamide
CID 89076726
4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 129468739
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793534
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 79809795
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61163904
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide (CID 137095882) is N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide is [H]/N=C(\C=C/N)N1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DFDSCWMTCRETEW-SFJBRHGZSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-15(13,14)11-7-3-5-12(6-7)8(10)2-4-9/h2,4,7,10-11H,3,5-6,9H2,1H3/b4-2-,10-8+.
What are the key properties of N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137095882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).