3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine

C14H29N3O3S — CID 71871886

IUPAC3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine
SMILESCC1CN(C(C)C)CC1NS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-9-12(3)14(10-17)15-21(18,19)16(4)13-5-7-20-8-6-13/h11-15H,5-10H2,1-4H3
InChIKeyZNPKSGCMQXNTCD-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.66
Rot. Bonds5

About 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine

3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine (PubChem CID 71871886) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine
PubChem CID71871886
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine
SMILESCC1CN(C(C)C)CC1NS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H29N3O3S/c1-11(2)17-9-12(3)14(10-17)15-21(18,19)16(4)13-5-7-20-8-6-13/h11-15H,5-10H2,1-4H3
InChIKeyZNPKSGCMQXNTCD-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-amine
CID 91910974
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1-butanesulfonamide
CID 91923058
[1-(Oxan-4-yl)pyrrolidin-3-yl]methanamine
CID 43610270
N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855751
[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
CID 67126390
[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]methanamine
CID 67126509
(3R)-N-(3-methyloxan-4-yl)pyrrolidin-3-amine
CID 91584709
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine
CID 93316782
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]oxan-4-amine
CID 93316783
1-(4-Methyloxan-4-yl)pyrrolidin-3-amine
CID 116231975
Ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine
CID 145484766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine (CID 71871886) is 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine is CC1CN(C(C)C)CC1NS(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine?
The InChIKey is ZNPKSGCMQXNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-11(2)17-9-12(3)14(10-17)15-21(18,19)16(4)13-5-7-20-8-6-13/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine?
3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine has a molecular weight of 319.47 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 71871886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).