4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine

C19H35N3O4S — CID 51946495

IUPAC4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
SMILESCCCCN(CCCC)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C19H35N3O4S/c1-4-6-10-22(11-7-5-2)27(23,24)20-16-18(19-9-8-17(3)26-19)21-12-14-25-15-13-21/h8-9,18,20H,4-7,10-16H2,1-3H3/t18-/m1/s1
InChIKeyMRTVNNHIGMFONE-GOSISDBHSA-N
MW401.57 g/mol
LogP2.70
Rot. Bonds12

About 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine

4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine (PubChem CID 51946495) has the molecular formula C19H35N3O4S and a molecular weight of 401.57 g/mol. Its IUPAC name is 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
PubChem CID51946495
Molecular FormulaC19H35N3O4S
Molecular Weight401.57 g/mol
Exact Mass401.23
IUPAC Name4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
SMILESCCCCN(CCCC)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C19H35N3O4S/c1-4-6-10-22(11-7-5-2)27(23,24)20-16-18(19-9-8-17(3)26-19)21-12-14-25-15-13-21/h8-9,18,20H,4-7,10-16H2,1-3H3/t18-/m1/s1
InChIKeyMRTVNNHIGMFONE-GOSISDBHSA-N
XLogP2.70
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
CID 55461406
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46657947
3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46457742
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55987367

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine?
The IUPAC name of 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine (CID 51946495) is 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine is CCCCN(CCCC)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine?
The InChIKey is MRTVNNHIGMFONE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H35N3O4S/c1-4-6-10-22(11-7-5-2)27(23,24)20-16-18(19-9-8-17(3)26-19)21-12-14-25-15-13-21/h8-9,18,20H,4-7,10-16H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine?
4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine has a molecular weight of 401.57 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine is sourced from PubChem (CID 51946495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).