(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide

C13H28N2O3S — CID 95974504

IUPAC(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-5-12(4)19(16,17)14-10-13(11(2)3)15-6-8-18-9-7-15/h11-14H,5-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyIVDFSWBTYKVNMB-OLZOCXBDSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds7

About (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide

(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide (PubChem CID 95974504) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
PubChem CID95974504
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-5-12(4)19(16,17)14-10-13(11(2)3)15-6-8-18-9-7-15/h11-14H,5-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyIVDFSWBTYKVNMB-OLZOCXBDSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(2-methylpentan-3-yl)morpholine;propane
CID 144553472
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine
CID 55599014
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
1-(2-ethylsulfonylethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111932030
2-(4-methoxyphenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)ethanesulfonamide
CID 86818230
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931914
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111930526

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide?
The IUPAC name of (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide (CID 95974504) is (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide.
What is the SMILES notation for (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide?
The canonical SMILES for (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide is CC[C@@H](C)S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1.
What is the InChIKey of (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide?
The InChIKey is IVDFSWBTYKVNMB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-5-12(4)19(16,17)14-10-13(11(2)3)15-6-8-18-9-7-15/h11-14H,5-10H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide?
(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide is sourced from PubChem (CID 95974504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).