(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine

C9H21N3O3S — CID 43597190

IUPAC(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
SMILESCCN(CC)S(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H21N3O3S/c1-4-12(5-2)16(13,14)11-8-6-10-7-9(8)15-3/h8-11H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyIIYGLEMHKNBWDL-GKAPJAKFSA-N
MW251.35 g/mol
LogP-0.85
Rot. Bonds6

About (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine

(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine (PubChem CID 43597190) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine.

Molecular Properties

Compound Name(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
PubChem CID43597190
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
SMILESCCN(CC)S(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H21N3O3S/c1-4-12(5-2)16(13,14)11-8-6-10-7-9(8)15-3/h8-11H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyIIYGLEMHKNBWDL-GKAPJAKFSA-N
XLogP-0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 79594310
(4S)-4-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 113637325
(2S,4S)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 132399150
(3R,4S)-4-methoxypyrrolidin-3-amine
CID 9989247
3-Pyrrolidinamine, 4-methoxy-, (3S,4S)-
CID 10057481
rac-(3R,4S)-4-methoxypyrrolidin-3-amine
CID 10057482
(3R,4S)-4-Methoxy-N-methylpyrrolidin-3-amine
CID 10441730
3-Pyrrolidinamine, 4-methoxy-, (3R,4R)-
CID 10920489
(3S,4S)-4-Methoxy-N-methyl-3-pyrrolidinamine
CID 11126291
(3S,4R)-4-Methoxy-N-methylpyrrolidin-3-amine
CID 11819109

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine?
The IUPAC name of (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine (CID 43597190) is (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine.
What is the SMILES notation for (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine?
The canonical SMILES for (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine is CCN(CC)S(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine?
The InChIKey is IIYGLEMHKNBWDL-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-4-12(5-2)16(13,14)11-8-6-10-7-9(8)15-3/h8-11H,4-7H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine?
(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine has a molecular weight of 251.35 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine is sourced from PubChem (CID 43597190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).