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

C10H20N2O4S — CID 99811858

IUPACmethyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](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/t9-/m0/s1
InChIKeyQRAQZJFOHUVWLH-VIFPVBQESA-N
MW264.35 g/mol
LogP0.40
Rot. Bonds4

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

methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate (PubChem CID 99811858) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
PubChem CID99811858
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](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/t9-/m0/s1
InChIKeyQRAQZJFOHUVWLH-VIFPVBQESA-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 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 91643444
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
2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 146497573
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate (CID 99811858) is methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate is COC(=O)N1CC[C@H](NS(=O)(=O)CC(C)C)C1.
What is the InChIKey of methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
The InChIKey is QRAQZJFOHUVWLH-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate?
methyl (3S)-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 (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 99811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).