1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine

C15H31N3O3S — CID 166785032

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(S(=O)(=O)CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C15H31N3O3S/c1-13(2)16-14-5-6-18(11-14)22(19,20)12-15(3,4)17-7-9-21-10-8-17/h13-14,16H,5-12H2,1-4H3
InChIKeyMFCXWBNAEILHNG-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.50
Rot. Bonds6

About 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine

1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 166785032) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID166785032
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(S(=O)(=O)CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C15H31N3O3S/c1-13(2)16-14-5-6-18(11-14)22(19,20)12-15(3,4)17-7-9-21-10-8-17/h13-14,16H,5-12H2,1-4H3
InChIKeyMFCXWBNAEILHNG-UHFFFAOYSA-N
XLogP0.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 79594310
N-[rac-(3R,4R)-4-(4-methylpiperazin-1-yl)tetrahydrofuran-3-yl]butane-1-sulfonamide
CID 131925098
1-methoxy-N-(3-methyl-2-morpholin-4-ylbutyl)propane-2-sulfonamide
CID 53595543
4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide
CID 67015457
N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653521
N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
CID 123941554
(3R)-1-[3-(oxolan-3-ylamino)butylsulfonyl]-N-propan-2-ylpyrrolidin-3-amine
CID 132012459
4-(3-Pyrrolidinylsulfonyl)-morpholine
CID 53415011
4-amino-N-(1-morpholin-4-ylpropan-2-yl)butane-1-sulfonamide
CID 54965332
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 54965434
N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine
CID 54965461

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine (CID 166785032) is 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)NC1CCN(S(=O)(=O)CC(C)(C)N2CCOCC2)C1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is MFCXWBNAEILHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-13(2)16-14-5-6-18(11-14)22(19,20)12-15(3,4)17-7-9-21-10-8-17/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine?
1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 333.50 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)sulfonyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 166785032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).