N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

C15H27N3O2S — CID 107402936

IUPACN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CNC(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-4-18(11-13-6-5-7-13)21(19,20)15-8-14(17-10-15)9-16-12(2)3/h8,10,12-13,16-17H,4-7,9,11H2,1-3H3
InChIKeyYBEOMWHSVRSGHE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.32
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 107402936) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID107402936
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CNC(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-4-18(11-13-6-5-7-13)21(19,20)15-8-14(17-10-15)9-16-12(2)3/h8,10,12-13,16-17H,4-7,9,11H2,1-3H3
InChIKeyYBEOMWHSVRSGHE-UHFFFAOYSA-N
XLogP2.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 107402894
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]propan-2-amine
CID 104969148
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 107402807
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106089929
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
5-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106086267
4-[cyclobutylmethyl(2,2-difluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146137498
N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106083874
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (CID 107402936) is N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CNC(C)C)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is YBEOMWHSVRSGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-18(11-13-6-5-7-13)21(19,20)15-8-14(17-10-15)9-16-12(2)3/h8,10,12-13,16-17H,4-7,9,11H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 107402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).