N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide

C15H27N3O2S — CID 106065897

IUPACN-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CC2CC2)cn1CC
InChIInChI=1S/C15H27N3O2S/c1-4-16-10-14-9-15(11-18(14)5-2)21(19,20)17-12(3)8-13-6-7-13/h9,11-13,16-17H,4-8,10H2,1-3H3
InChIKeySBYSZDYRBDSIKR-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.08
Rot. Bonds9

About N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide

N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106065897) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106065897
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CC2CC2)cn1CC
InChIInChI=1S/C15H27N3O2S/c1-4-16-10-14-9-15(11-18(14)5-2)21(19,20)17-12(3)8-13-6-7-13/h9,11-13,16-17H,4-8,10H2,1-3H3
InChIKeySBYSZDYRBDSIKR-UHFFFAOYSA-N
XLogP2.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106065891
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide (CID 106065897) is N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)CC2CC2)cn1CC.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is SBYSZDYRBDSIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-16-10-14-9-15(11-18(14)5-2)21(19,20)17-12(3)8-13-6-7-13/h9,11-13,16-17H,4-8,10H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106065897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).