N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide

C15H27N3O2S — CID 106091263

IUPACN-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)(C)C2CC2)cn1C(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)18-10-14(8-13(18)9-16-5)21(19,20)17-15(3,4)12-6-7-12/h8,10-12,16-17H,6-7,9H2,1-5H3
InChIKeyRUVDFTKKKAPQHT-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.26
Rot. Bonds7

About N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide

N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106091263) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106091263
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)(C)C2CC2)cn1C(C)C
InChIInChI=1S/C15H27N3O2S/c1-11(2)18-10-14(8-13(18)9-16-5)21(19,20)17-15(3,4)12-6-7-12/h8,10-12,16-17H,6-7,9H2,1-5H3
InChIKeyRUVDFTKKKAPQHT-UHFFFAOYSA-N
XLogP2.26
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106091174
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
N-(2-ethoxyethyl)-N-methyl-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 81064021
5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106072593
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 114110390
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106091263) is N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)(C)C2CC2)cn1C(C)C.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is RUVDFTKKKAPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)18-10-14(8-13(18)9-16-5)21(19,20)17-15(3,4)12-6-7-12/h8,10-12,16-17H,6-7,9H2,1-5H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide?
N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-5-(methylaminomethyl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106091263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).