(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide

C14H29N3O3S — CID 124692525

IUPAC(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCC2(N)CCCCCC2)[C@@H](C)CO1
InChIInChI=1S/C14H29N3O3S/c1-12-10-20-13(2)9-17(12)21(18,19)16-11-14(15)7-5-3-4-6-8-14/h12-13,16H,3-11,15H2,1-2H3/t12-,13+/m0/s1
InChIKeyAJYISFMZISLEGC-QWHCGFSZSA-N
MW319.47 g/mol
LogP0.98
Rot. Bonds4

About (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide

(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide (PubChem CID 124692525) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide
PubChem CID124692525
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCC2(N)CCCCCC2)[C@@H](C)CO1
InChIInChI=1S/C14H29N3O3S/c1-12-10-20-13(2)9-17(12)21(18,19)16-11-14(15)7-5-3-4-6-8-14/h12-13,16H,3-11,15H2,1-2H3/t12-,13+/m0/s1
InChIKeyAJYISFMZISLEGC-QWHCGFSZSA-N
XLogP0.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 43544729
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810378
(2R,5S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2,5-dimethylmorpholine-4-sulfonamide
CID 99105883
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 100567938
4-ethenylsulfonyl-2,5-dimethylmorpholine
CID 130543907
[1-(2,5-dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43544407

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide (CID 124692525) is (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)NCC2(N)CCCCCC2)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide?
The InChIKey is AJYISFMZISLEGC-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-12-10-20-13(2)9-17(12)21(18,19)16-11-14(15)7-5-3-4-6-8-14/h12-13,16H,3-11,15H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide?
(2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-[(1-aminocycloheptyl)methyl]-2,5-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 124692525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).