N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide

C11H18N2O2S — CID 115556438

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H18N2O2S/c1-2-7-13(10-11-5-6-11)16(14,15)12-8-3-4-9-12/h1,11H,3-10H2
InChIKeyXTBHGFNIDLZXKP-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.67
Rot. Bonds5

About N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide

N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide (PubChem CID 115556438) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
PubChem CID115556438
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H18N2O2S/c1-2-7-13(10-11-5-6-11)16(14,15)12-8-3-4-9-12/h1,11H,3-10H2
InChIKeyXTBHGFNIDLZXKP-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 78942640
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114816677
5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383275
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide (CID 115556438) is N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide is C#CCN(CC1CC1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The InChIKey is XTBHGFNIDLZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-7-13(10-11-5-6-11)16(14,15)12-8-3-4-9-12/h1,11H,3-10H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide?
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115556438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).