5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

C14H27N3O3S — CID 106057236

IUPAC5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)COC)cn1C(C)C
InChIInChI=1S/C14H27N3O3S/c1-6-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12(4)10-20-5/h7,9,11-12,15-16H,6,8,10H2,1-5H3
InChIKeyWLNQDEWIMFRQGX-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.49
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106057236) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106057236
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)COC)cn1C(C)C
InChIInChI=1S/C14H27N3O3S/c1-6-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12(4)10-20-5/h7,9,11-12,15-16H,6,8,10H2,1-5H3
InChIKeyWLNQDEWIMFRQGX-UHFFFAOYSA-N
XLogP1.49
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.49
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
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106072593
5-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106018970
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106057236) is 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)COC)cn1C(C)C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is WLNQDEWIMFRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12(4)10-20-5/h7,9,11-12,15-16H,6,8,10H2,1-5H3.
What are the key properties of 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106057236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).