2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine

C19H41N3O3S — CID 55989548

IUPAC2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H41N3O3S/c1-16(2)7-9-22(10-8-17(3)4)26(23,24)20-13-19-15-21(11-12-25-19)14-18(5)6/h16-20H,7-15H2,1-6H3
InChIKeyNQGDECKNODIKIJ-UHFFFAOYSA-N
MW391.62 g/mol
LogP2.57
Rot. Bonds12

About 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine

2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine (PubChem CID 55989548) has the molecular formula C19H41N3O3S and a molecular weight of 391.62 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
PubChem CID55989548
Molecular FormulaC19H41N3O3S
Molecular Weight391.62 g/mol
Exact Mass391.29
IUPAC Name2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H41N3O3S/c1-16(2)7-9-22(10-8-17(3)4)26(23,24)20-13-19-15-21(11-12-25-19)14-18(5)6/h16-20H,7-15H2,1-6H3
InChIKeyNQGDECKNODIKIJ-UHFFFAOYSA-N
XLogP2.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 136523526
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
2-methyl-1-(4-methylpentyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369605
N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 95571142

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine (CID 55989548) is 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine is CC(C)CCN(CCC(C)C)S(=O)(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine?
The InChIKey is NQGDECKNODIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O3S/c1-16(2)7-9-22(10-8-17(3)4)26(23,24)20-13-19-15-21(11-12-25-19)14-18(5)6/h16-20H,7-15H2,1-6H3.
What are the key properties of 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine?
2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine has a molecular weight of 391.62 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 55989548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).