methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate

C12H24N2O4S — CID 106607628

IUPACmethyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)14(9-11-5-4-7-13-11)19(16,17)8-6-12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeyUQGDNOKAMMSTMH-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds7

About methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate

methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate (PubChem CID 106607628) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
PubChem CID106607628
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(CC1CCCN1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)14(9-11-5-4-7-13-11)19(16,17)8-6-12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeyUQGDNOKAMMSTMH-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
CID 97301316
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
CID 106630937
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
4-[(3-methoxy-3-oxopropyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 61458516
(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 129398896
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
CID 106632589
propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
CID 106599450

Frequently Asked Questions

What is the IUPAC name of methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate (CID 106607628) is methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)N(CC1CCCN1)C(C)C.
What is the InChIKey of methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The InChIKey is UQGDNOKAMMSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)14(9-11-5-4-7-13-11)19(16,17)8-6-12(15)18-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate is sourced from PubChem (CID 106607628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).