N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide

C14H27N3O3S — CID 106067568

IUPACN-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CCOC)cc1CNC
InChIInChI=1S/C14H27N3O3S/c1-5-7-17-11-14(9-13(17)10-15-3)21(18,19)16-12(2)6-8-20-4/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyLBYVJVKEHSVAGW-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.32
Rot. Bonds10

About N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide

N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106067568) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
PubChem CID106067568
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CCOC)cc1CNC
InChIInChI=1S/C14H27N3O3S/c1-5-7-17-11-14(9-13(17)10-15-3)21(18,19)16-12(2)6-8-20-4/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyLBYVJVKEHSVAGW-UHFFFAOYSA-N
XLogP1.32
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
N-(2-methoxypropyl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 102701585
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1-propylpyrrole-3-sulfonamide
CID 106077560
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
N-[1-(dimethylamino)propan-2-yl]-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106074488
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-1-propylpyrrole-3-sulfonamide
CID 106083302
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-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide (CID 106067568) is N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)CCOC)cc1CNC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is LBYVJVKEHSVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-5-7-17-11-14(9-13(17)10-15-3)21(18,19)16-12(2)6-8-20-4/h9,11-12,15-16H,5-8,10H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide?
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106067568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).