N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

C14H28N4O2S — CID 106055691

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCN(C)C(C)C)c[nH]1
InChIInChI=1S/C14H28N4O2S/c1-5-6-15-10-13-9-14(11-16-13)21(19,20)17-7-8-18(4)12(2)3/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyLDQIOHGFJJWRMY-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.13
Rot. Bonds10

About N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106055691) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106055691
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCCN(C)C(C)C)c[nH]1
InChIInChI=1S/C14H28N4O2S/c1-5-6-15-10-13-9-14(11-16-13)21(19,20)17-7-8-18(4)12(2)3/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyLDQIOHGFJJWRMY-UHFFFAOYSA-N
XLogP1.13
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062810
N-methyl-N-(2-propan-2-yloxyethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 81064370
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(propylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068070
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106080715
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106055691) is N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCCN(C)C(C)C)c[nH]1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is LDQIOHGFJJWRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-5-6-15-10-13-9-14(11-16-13)21(19,20)17-7-8-18(4)12(2)3/h9,11-12,15-17H,5-8,10H2,1-4H3.
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106055691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).