methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate

C10H20N2O4S — CID 91643444

IUPACmethyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)CC(C)C)C1
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-9-4-5-12(6-9)10(13)16-3/h8-9,11H,4-7H2,1-3H3
InChIKeyQRAQZJFOHUVWLH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.40
Rot. Bonds4

About methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate

methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate (PubChem CID 91643444) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
PubChem CID91643444
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)CC(C)C)C1
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-9-4-5-12(6-9)10(13)16-3/h8-9,11H,4-7H2,1-3H3
InChIKeyQRAQZJFOHUVWLH-UHFFFAOYSA-N
XLogP0.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 99811858
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891994
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 146497573
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate (CID 91643444) is methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate is COC(=O)N1CCC(NS(=O)(=O)CC(C)C)C1.
What is the InChIKey of methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The InChIKey is QRAQZJFOHUVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-9-4-5-12(6-9)10(13)16-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 91643444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).