5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide

C14H26N4O2S — CID 106032739

IUPAC5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)C)cc1CNC1CC1
InChIInChI=1S/C14H26N4O2S/c1-4-18-11-14(9-13(18)10-15-12-5-6-12)21(19,20)16-7-8-17(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3
InChIKeyHHJQUFZXMVYXOY-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.60
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide (PubChem CID 106032739) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide
PubChem CID106032739
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN(C)C)cc1CNC1CC1
InChIInChI=1S/C14H26N4O2S/c1-4-18-11-14(9-13(18)10-15-12-5-6-12)21(19,20)16-7-8-17(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3
InChIKeyHHJQUFZXMVYXOY-UHFFFAOYSA-N
XLogP0.60
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide (CID 106032739) is 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCN(C)C)cc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide?
The InChIKey is HHJQUFZXMVYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-18-11-14(9-13(18)10-15-12-5-6-12)21(19,20)16-7-8-17(2)3/h9,11-12,15-16H,4-8,10H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 106032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).