N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide

C9H19N3O2S — CID 79503806

IUPACN-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1=NCCC1)NS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-9(2,12-15(3,13)14)7-11-8-5-4-6-10-8/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyLUNXLCYYWIAHRT-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.10
Rot. Bonds4

About N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 79503806) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID79503806
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1=NCCC1)NS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-9(2,12-15(3,13)14)7-11-8-5-4-6-10-8/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyLUNXLCYYWIAHRT-UHFFFAOYSA-N
XLogP0.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-iminopyrrolidin-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 63860043
N-[2-methyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-2-yl]methanesulfonamide
CID 79503900
N-[2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-yl]methanesulfonamide
CID 79503901
N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide
CID 79507906
N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]methanesulfonamide
CID 79508011
N-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]methanesulfonamide
CID 79508012
N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79508880
N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide
CID 106336590

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 79503806) is N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1=NCCC1)NS(C)(=O)=O.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is LUNXLCYYWIAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9(2,12-15(3,13)14)7-11-8-5-4-6-10-8/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 233.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 79503806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).