5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide

C14H25N3O3S — CID 81064545

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H25N3O3S/c1-11(2)20-7-6-17(3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyNBLUQRBXATXSQL-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.31
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 81064545) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide
PubChem CID81064545
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H25N3O3S/c1-11(2)20-7-6-17(3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyNBLUQRBXATXSQL-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 81064370
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
CID 112667294
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-yl-1H-pyrrole-3-sulfonamide
CID 82939796
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)-1H-pyrrole-3-sulfonamide
CID 106050867
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
CID 81068752
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 81067953
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106063054

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide (CID 81064545) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide is CC(C)OCCN(C)S(=O)(=O)c1c[nH]c(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NBLUQRBXATXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(2)20-7-6-17(3)21(18,19)14-8-13(16-10-14)9-15-12-4-5-12/h8,10-12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 81064545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).