1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide

C15H29N3O2S — CID 106053778

IUPAC1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)n(C)c1
InChIInChI=1S/C15H29N3O2S/c1-7-12(4)13(5)17-21(19,20)15-8-14(18(6)10-15)9-16-11(2)3/h8,10-13,16-17H,7,9H2,1-6H3
InChIKeyXYPUGEJYPYBMCX-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.24
Rot. Bonds8

About 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide

1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide (PubChem CID 106053778) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
PubChem CID106053778
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)n(C)c1
InChIInChI=1S/C15H29N3O2S/c1-7-12(4)13(5)17-21(19,20)15-8-14(18(6)10-15)9-16-11(2)3/h8,10-13,16-17H,7,9H2,1-6H3
InChIKeyXYPUGEJYPYBMCX-UHFFFAOYSA-N
XLogP2.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
1-methyl-N-(4-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106080224
N-(4-methoxybutyl)-1-methyl-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106054022
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106064792
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
1-ethyl-N-(1-methoxypropan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106057163
N-(1-ethoxy-3-methylbutan-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106093833
2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785
1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
N,1-dimethyl-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 115988394
1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081278
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide (CID 106053778) is 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(CNC(C)C)n(C)c1.
What is the InChIKey of 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide?
The InChIKey is XYPUGEJYPYBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-7-12(4)13(5)17-21(19,20)15-8-14(18(6)10-15)9-16-11(2)3/h8,10-13,16-17H,7,9H2,1-6H3.
What are the key properties of 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide?
1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106053778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).